SCHEMBL1690901

SCHEMBL1690901

CCCCNC.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[KH]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.57
TSHR P16473 5/20 0.39
ALDH1A1 P00352 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH7 P40394 1/20 0.35
CA12 O43570 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
LMNA P02545 1/20 0.32
S1PR2 O95136 5/20 0.31
S1PR4 O95977 5/20 0.31
S1PR1 P21453 5/20 0.31
S1PR3 Q99500 5/20 0.31
S1PR5 Q9H228 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15225578 0.97 EPHX1 (0.60) EPHX1TSHRALDH1A1CA1CA2
SCHEMBL2600 0.85
Hydrochloric Acid SCHEMBL1697383 0.82
Water SCHEMBL22231652 0.82
Bromide SCHEMBL22574897 0.82
Iodide SCHEMBL9110774 0.82
SCHEMBL27556005 0.82
Ethyne SCHEMBL9637208 0.79
Methylethylamine SCHEMBL10662543 0.79 EPHX1 (0.67) EPHX1TSHRALDH1A1CA1CA2
SCHEMBL6659566 0.79 EPHX1 (0.43) EPHX1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2039697-B1 FLUOROBORON COMPOUND, AMINOMETHYLATING AGENT FOR AROMATIC RING COMPRISING THE COMPOUND, AND PROCESS FOR PRODUCTION OF COMPOUND HAVING AMINOMETHYL-AROMATIC RING USING THE AMINOMETHYLATING AGENT EISAI R&D MAN CO LTD (JP) 2013-09-04 EP claimed
US-8524946-B2 Fluoroboron compound, aminomethylating agent for aromatic ring made of the same, and production method of compound containing aminomethyl aromatic ring using aminomethylating agent EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-09-03 US claimed
US-20120010403-A1 FLUOROBORON COMPOUND, AMINOMETHYLATING AGENT FOR AROMATIC RING MADE OF THE SAME, AND PRODUCTION METHOD OF COMPOUND CONTAINING AMINOMETHYL AROMATIC RING USING AMINOMETHYLATING AGENT TANAKA KEIGO (JP) 2012-01-12 US claimed
EP-2039697-A1 FLUOROBORON COMPOUND, AMINOMETHYLATING AGENT FOR AROMATIC RING COMPRISING THE COMPOUND, AND PROCESS FOR PRODUCTION OF COMPOUND HAVING AMINOMETHYL-AROMATIC RING USING THE AMINOMETHYLATING AGENT Eisai R&D Management Co., Ltd. (JP) 2009-03-25 EP claimed
US-20080015351-A1 Fluoroboron compound, aminomethylating agent for aromatic ring made of the same, and production method of compound containing aminomethyl aromatic ring using aminomethylating agent EISAI R&D MANAGEMENT CO., LTD. 2008-01-17 US claimed
US-9908819-B1 Printing method for production a ceramic green body WZR ceramic solutions GmbH (DE) 2018-03-06 US disclosed
EP-2039697-B1 FLUOROBORON COMPOUND, AMINOMETHYLATING AGENT FOR AROMATIC RING COMPRISING THE COMPOUND, AND PROCESS FOR PRODUCTION OF COMPOUND HAVING AMINOMETHYL-AROMATIC RING USING THE AMINOMETHYLATING AGENT EISAI R&D MAN CO LTD (JP) 2013-09-04 EP disclosed
US-8524946-B2 Fluoroboron compound, aminomethylating agent for aromatic ring made of the same, and production method of compound containing aminomethyl aromatic ring using aminomethylating agent EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-09-03 US disclosed
US-20120010403-A1 FLUOROBORON COMPOUND, AMINOMETHYLATING AGENT FOR AROMATIC RING MADE OF THE SAME, AND PRODUCTION METHOD OF COMPOUND CONTAINING AMINOMETHYL AROMATIC RING USING AMINOMETHYLATING AGENT TANAKA KEIGO (JP) 2012-01-12 US disclosed
US-8044216-B2 Fluoroboron compound, aminomethylating agent for aromatic ring made of the same, and production method of compound containing aminomethyl aromatic ring using aminomethylating agent EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-10-25 US disclosed
EP-2039697-A1 FLUOROBORON COMPOUND, AMINOMETHYLATING AGENT FOR AROMATIC RING COMPRISING THE COMPOUND, AND PROCESS FOR PRODUCTION OF COMPOUND HAVING AMINOMETHYL-AROMATIC RING USING THE AMINOMETHYLATING AGENT Eisai R&D Management Co., Ltd. (JP) 2009-03-25 EP disclosed
US-20080015351-A1 Fluoroboron compound, aminomethylating agent for aromatic ring made of the same, and production method of compound containing aminomethyl aromatic ring using aminomethylating agent EISAI R&D MANAGEMENT CO., LTD. 2008-01-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080015351-A1 Fluoroboron compound, aminomethylating agent for aromatic ring made of the same, and production method of compound containing aminomethyl aromatic ring using aminomethylating agent PRMT6, MLLT3, PRMT3 EPHX1 3456/4885TSHR 1465/4885ALDH1A1 1988/4885
US-20120010403-A1 FLUOROBORON COMPOUND, AMINOMETHYLATING AGENT FOR AROMATIC RING MADE OF THE SAME, AND PRODUCTION METHOD OF COMPOUND CONTAINING AMINOMETHYL AROMATIC RING USING AMINOMETHYLATING AGENT PRMT6, MLLT3, PRMT3 EPHX1 3456/4885TSHR 1465/4885ALDH1A1 1988/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.