SCHEMBL22722426

SCHEMBL22722426

C=C(C)C(=O)OCC1CC2C[C@@H]1C(O)(F)C2

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ TSHR P16473 3/20 0.33
▸ THRB P10828 1/20 0.31

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
SCHEMBL18457103 1.00 ALDH1A1 (0.42) ALDH1A1TSHRTHRB
SCHEMBL18758048 0.86 THRB (0.36) ALDH1A1TSHRTHRB
SCHEMBL18457094 0.83 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL18758178 0.77 ALDH1A1 (0.37) ALDH1A1
SCHEMBL18758021 0.75 ALDH1A1 (0.42) ALDH1A1TSHRTHRB
SCHEMBL18401068 0.75 ALDH1A1 (0.42) ALDH1A1TSHRTHRB
SCHEMBL18400945 0.75 ALDH1A1 (0.42) ALDH1A1TSHRTHRB
SCHEMBL18400943 0.74 ALDH1A1 (0.38) ALDH1A1
SCHEMBL18758017 0.71 ALDH1A1 (0.41) ALDH1A1
SCHEMBL18634199 0.70 THRB (0.33) ALDH1A1TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851188-B2 Polymer compound for conductive polymer and method for producing same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-12-01 — — US disclosed
Send feedback