SCHEMBL9740995

SCHEMBL9740995

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
THRB P10828 1/20 0.35
CA2 P00918 1/20 0.34
HSD17B10 Q99714 1/20 0.32
ALOX15 P16050 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
SCHEMBL27547319 0.85 TSHR (0.45) TSHRALDH1A1TDP1THRBHSD17B10
SCHEMBL28084852 0.83 TSHR (0.52) TSHRALDH1A1TDP1MMP1MMP2
SCHEMBL11207226 0.82 TDP1 (0.46) TSHRALDH1A1TDP1MMP1MMP2
SCHEMBL28545966 0.82 ALDH1A1 (0.46) TSHRALDH1A1TDP1MMP1MMP2
SCHEMBL1486102 0.82 TSHR (0.47) TSHRALDH1A1THRB
SCHEMBL14543553 0.79 TSHR (0.59) TSHRALDH1A1TDP1MMP1MMP2
SCHEMBL18309378 0.79 ALDH1A1 (0.57) TSHRALDH1A1TDP1THRBHSD17B10
SCHEMBL248143 0.78 ALDH1A1 (0.50) ALDH1A1TDP1MMP1MMP2MMP3
SCHEMBL17359736 0.78 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL21571489 0.77 CA2 (0.42) TSHRALDH1A1TDP1MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119968408-A Ultraviolet curable composition and use thereof 陶氏东丽株式会社 2025-05-09 CN disclosed
CN-103809375-A Photosensitive resin composition GENENCHIP 2014-05-21 CN disclosed
US-5115048-A Coating a mold before molding a polyurethane of a diisocyanate and a polycarbonate polyol and a hardener NISSAN MOTOR CO., LTD. (JP) 1992-05-19 US disclosed
EP-0350170-A2 Process for polymerising olefins and polymerisation catalyst therefor MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-01-10 EP disclosed
US-4272617-A Immobilization of enzymes or bacteria cells JAPAN ATOMIC ENERGY RESEARCH INSTITUTE (JP) 1981-06-09 US disclosed