SCHEMBL9512912

SCHEMBL9512912

C=C(C)C(=O)OC#COC(=O)C(=C)C

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
TSHR P16473 4/20 0.41
TDP1 Q9NUW8 2/20 0.38
THRB P10828 1/20 0.38
HSD17B10 Q99714 1/20 0.35
ELANE P08246 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
SCHEMBL861017 0.87
SCHEMBL19873152 0.84 THRB (0.42) ALDH1A1TSHRTHRBHSD17B10
SCHEMBL11964228 0.83 ALDH1A1 (0.42) ALDH1A1TSHRTDP1THRBELANE
SCHEMBL9189718 0.82
SCHEMBL10963979 0.81 ALDH1A1 (0.41) ALDH1A1TSHRTHRB
SCHEMBL441758 0.80
SCHEMBL20215517 0.79 ALDH1A1 (0.39) ALDH1A1TSHRTHRB
SCHEMBL28606790 0.79 TSHR (0.41) ALDH1A1TSHRTHRB
SCHEMBL2107398 0.78
SCHEMBL821028 0.78

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
EP-0413174-B1 DENTAL ADHESIVE COMPOSITION MITSUBISHI RAYON CO., LTD. (JP) 1993-10-06 EP claimed