SCHEMBL29027331

SCHEMBL29027331

C=C(C)C(=O)OC(CCC)CCP(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TSHR P16473 3/20 0.35
CTSK P43235 1/20 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
SCHEMBL11863394 0.88 ALDH1A1 (0.46) ALDH1A1TSHRCTSKTHRB
SCHEMBL9327223 0.81 TSHR (0.42) ALDH1A1TSHRCTSKTHRB
SCHEMBL1692337 0.81 TSHR (0.46) ALDH1A1TSHRCTSKTHRB
SCHEMBL440084 0.80 ALDH1A1 (0.43) ALDH1A1TSHRCTSKTHRB
SCHEMBL18456081 0.79 TSHR (0.49) ALDH1A1TSHRCTSK
SCHEMBL6046948 0.79 ALDH1A1 (0.41) ALDH1A1TSHRCTSKTHRB
SCHEMBL11049715 0.79 ALDH1A1 (0.41) ALDH1A1TSHRCTSKTHRB
SCHEMBL28933478 0.78 TSHR (0.51) ALDH1A1TSHRCTSK
SCHEMBL11048077 0.78 TSHR (0.51) ALDH1A1TSHRCTSKTHRB
SCHEMBL2586976 0.78 TSHR (0.51) ALDH1A1TSHRCTSK

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
CN-112689465-B Coated open cell polyurethane foam structure with heat absorbing capability 陶氏环球技术有限责任公司 2023-05-26 CN disclosed