SCHEMBL18850131

SCHEMBL18850131

C=C(C)C(=O)OCC1CC2C[C@H]1CC2CC#N

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ TSHR P16473 4/20 0.34
▸ JAK1 P23458 5/20 0.33
▸ JAK2 O60674 4/20 0.33
▸ TYK2 P29597 4/20 0.33
▸ JAK3 P52333 4/20 0.33
▸ THRB P10828 1/20 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
SCHEMBL18400936 1.00 ALDH1A1 (0.44) ALDH1A1TSHRJAK1JAK2TYK2
SCHEMBL18634059 0.86 THRB (0.37) ALDH1A1TSHRTHRB
SCHEMBL19718945 0.84 ALDH1A1 (0.43) ALDH1A1TSHRTHRB
SCHEMBL18400941 0.84 ALDH1A1 (0.43) ALDH1A1TSHRTHRB
SCHEMBL17829494 0.81 ALDH1A1 (0.49) ALDH1A1TSHRTHRB
SCHEMBL10064091 0.80 ALDH1A1 (0.47) ALDH1A1TSHRTHRB
SCHEMBL18457384 0.80 ALDH1A1 (0.42) ALDH1A1TSHRTHRB
SCHEMBL2516366 0.75 ALDH1A1 (0.43) ALDH1A1TSHRTHRB
SCHEMBL18456189 0.74 ALDH1A1 (0.42) ALDH1A1TSHRTHRB
SCHEMBL22317681 0.73 ALDH1A1 (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023752-B2 Conductive material and substrate SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-07-17 — — US disclosed
US-20170130070-A1 CONDUCTIVE MATERIAL AND SUBSTRATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-05-11 — — US disclosed
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