SCHEMBL8414773

SCHEMBL8414773

C=C(C)C(=O)OC(CC)(CC)C(CC)C(C)(O)CC

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL18233423 0.76 TSHR (0.47) TSHRTHRBALDH1A1
SCHEMBL25561391 0.75 TSHR (0.42) TSHRTHRBALDH1A1
SCHEMBL2939728 0.74 TSHR (0.37) TSHRTHRBALDH1A1
SCHEMBL6683823 0.72 TSHR (0.36) TSHRTHRBALDH1A1
SCHEMBL782309 0.72 ALDH1A1 (0.41) TSHRTHRBALDH1A1
SCHEMBL25561394 0.70 TSHR (0.41) TSHRTHRBALDH1A1
SCHEMBL1108024 0.70 TSHR (0.43) TSHRTHRBALDH1A1
SCHEMBL2234565 0.70 ALDH1A1 (0.42) TSHRTHRBALDH1A1
SCHEMBL347723 0.70 ALDH1A1 (0.42) TSHRTHRBALDH1A1
SCHEMBL6924021 0.70 TSHR (0.43) TSHRTHRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0841380-B1 Method of making polymeric binders and use thereof in antifouling paints WITCO GMBH (DE) 1999-08-25 EP claimed
US-5891935-A Process for preparing polymeric binders and their use for antifouling paint systems WITCO GMBH (DE) 1999-04-06 US claimed
US-5891935-A Process for preparing polymeric binders and their use for antifouling paint systems WITCO GMBH (DE) 1999-04-06 US disclosed