SCHEMBL30006258

SCHEMBL30006258

CC(C)(C)C(=O)C(O)(O)C(C)(C)C(=O)O.CC(C)(C)C(=O)C(O)(O)C(C)(C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HMGCR P04035 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ TBXA2R P21731 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ TET2 Q6N021 1/20 0.30

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
SCHEMBL1819549 1.00 TSHR (0.45) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL31043491 0.89 TSHR (0.36) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL28494962 0.85 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL28302008 0.79 TSHR (0.53) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL8431180 0.78 TSHR (0.45) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL85493 0.71 TSHR (0.57) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL1847751 0.71 TSHR (0.50) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL29869350 0.71 TSHR (0.50) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL30325837 0.71 TSHR (0.50) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL5464435 0.69 TSHR (0.56) TSHRALDH1A1HMGCRCHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113286862-B Adhesive composition comprising 1, 4-cyclohexanedimethanol and method of producing the same 伊士曼(中国)投资管理有限公司 2023-11-03 — — CN disclosed
CN-113286861-B Adhesive composition with polyesters comprising 2, 4-tetraalkyl-1, 3-cyclobutanediol 伊士曼(中国)投资管理有限公司 2023-08-18 — — CN disclosed
CN-113286842-B Polyesters comprising 2, 4-tetraalkyl-1, 3-cyclobutanediol 伊士曼(中国)投资管理有限公司 2023-05-02 — — CN disclosed
CN-113710765-B Adhesive compositions having polyesters comprising 2, 4-tetraalkyl-1, 3-cyclobutanediol and methods of producing the same 伊士曼(中国)投资管理有限公司 2022-10-18 — — CN disclosed
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