SCHEMBL14356263

SCHEMBL14356263

C=C(C)C(=O)OCC(C)CC(C)(O)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
THRB P10828 1/20 0.34
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL2976959 0.86 TSHR (0.53) TSHRTHRBALDH1A1
SCHEMBL14863143 0.82 TSHR (0.49) TSHRTHRBALDH1A1
SCHEMBL28231206 0.82 TSHR (0.60) TSHRTHRBALDH1A1
SCHEMBL24142663 0.78 TSHR (0.51) TSHRTHRBALDH1A1
SCHEMBL9610671 0.78 TSHR (0.38) TSHRALDH1A1
SCHEMBL4526188 0.77 TSHR (0.69) TSHRTHRBALDH1A1
SCHEMBL3319370 0.77 TSHR (0.75) TSHRTHRBALDH1A1
SCHEMBL9610645 0.76 TSHR (0.42) TSHRTHRBALDH1A1
SCHEMBL20001266 0.75 TSHR (0.72) TSHRTHRBALDH1A1
SCHEMBL12267335 0.75 TSHR (0.36) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180221402-A1 METHODS, COMPOSITIONS, AND SYSTEMS FOR DELIVERING THERAPEUTIC AND DIAGNOSTIC AGENTS INTO CELLS ROIVANT SCIENCES LTD. (GB) 2018-08-09 US disclosed
US-10040879-B2 Fluoro-alcohol additives for orientation control of block copolymers INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-08-07 US disclosed
US-20170066853-A1 FLUORO-ALCOHOL ADDITIVES FOR ORIENTATION CONTROL OF BLOCK COPOLYMERS INTERNATIONAL BUSINESS MACHINES CORPORATION 2017-03-09 US disclosed
US-9574107-B2 Fluoro-alcohol additives for orientation control of block copolymers INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-02-21 US disclosed
US-20160237307-A1 FLUORO-ALCOHOL ADDITIVES FOR ORIENTATION CONTROL OF BLOCK COPOLYMERS INTERNATIONAL BUSINESS MACHINES CORPORATION 2016-08-18 US disclosed
US-7297811-B2 Precursors to fluoroalkanol-containing olefin monomers and associated methods of synthesis and use INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2007-11-20 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 (1 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-20180221402-A1 METHODS, COMPOSITIONS, AND SYSTEMS FOR DELIVERING THERAPEUTIC AND DIAGNOSTIC AGENTS INTO CELLS CD63, LIPA, NPC1L1 TSHR 3638/4885THRB 4401/4885ALDH1A1 3899/4885

“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.