SCHEMBL8855978

SCHEMBL8855978

CO[Ti](CCCN(C)C)(OC)OC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
DNM1 Q05193 3/20 0.36
TDP1 Q9NUW8 2/20 0.30
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL18528492 0.77 ALDH1A1 (0.41) ALDH1A1TSHRDNM1CA12CA2
SCHEMBL8855947 0.75 MEN1 (0.34) ALDH1A1KDM4E
SCHEMBL483111 0.72
SCHEMBL8619594 0.69 ALDH1A1 (0.50) ALDH1A1TSHRDNM1TDP1CA12
SCHEMBL2774226 0.68
SCHEMBL18528744 0.67 TSHR (0.33) ALDH1A1TSHRTDP1
SCHEMBL212626 0.65
SCHEMBL1290871 0.65 ALDH1A1 (0.75) ALDH1A1TSHRDNM1TDP1CA12
SCHEMBL21216 0.65 ALDH1A1 (0.91) ALDH1A1TSHRDNM1TDP1CA12
SCHEMBL2776155 0.63 DNM1 (0.42) ALDH1A1TSHRDNM1CA12CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170054098-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Konica Minolta, Inc. (JP) 2017-02-23 US disclosed
US-5629066-A A COATED RESIN LAYER COVERING THE SURFACE OF FILM OR SHEET, IS MADE OF AN AMINO GROUP CONTAINING POLYMER AND/OR A POLYMER OF METHACRYLATE OF ISOCYANURIC ACID, HAVING AN EXPOSED SURFACE QUATERNIZED WITH ALKYL SULFATE OR SULFONATES TEIJIN LIMITED (JP) 1997-05-13 US disclosed
EP-0519420-B1 Resin article having anti-static property TEIJIN LTD (JP) 1995-12-20 EP disclosed
EP-0519420-A1 Resin article having anti-static property TEIJIN LIMITED (JP) 1992-12-23 EP disclosed