SCHEMBL20701419

SCHEMBL20701419

C=C(C)C(=O)OC(C)O.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
ALDH1A1 P00352 2/20 0.46
THRB P10828 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
HSD17B10 Q99714 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
SCHEMBL11125870 0.97
SCHEMBL10762910 0.97
SCHEMBL20364 0.97
SCHEMBL27553112 0.97 TSHR (0.48) TSHRALDH1A1THRBTDP1HSD17B10
SCHEMBL28173721 0.95 TSHR (0.46) TSHRALDH1A1THRBTDP1HSD17B10
Water SCHEMBL10713209 0.95 TSHR (0.46) TSHRALDH1A1THRBTDP1HSD17B10
SCHEMBL28265808 0.95 TSHR (0.46) TSHRALDH1A1THRBTDP1HSD17B10
Ethylene SCHEMBL8934253 0.95 TSHR (0.46) TSHRALDH1A1THRBTDP1HSD17B10
Acetone SCHEMBL8653588 0.95 TSHR (0.46) TSHRALDH1A1THRBTDP1HSD17B10
SCHEMBL28304452 0.95

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
CN-106366241-B Ophthalmic materials and application thereof with fluorescent characteristic 爱博诺德(北京)医疗科技有限公司 2019-10-08 CN disclosed
US-20190039269-A1 METHOD FOR PREPARING DOUBLE-NETWORK HYDROGEL TUBE WITH COMPLEX STRUCTURE LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2019-02-07 US disclosed
CN-106749888-A A kind of preparation method of labyrinth double-network hydrogel pipe 中国科学院兰州化学物理研究所 2017-05-31 CN disclosed