SCHEMBL29185571

SCHEMBL29185571

C=CC(=O)OCCO.O=C(O)/C=C\C(=O)OCCCO

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.63
▸ HCAR2 Q8TDS4 8/20 0.54
▸ ALDH1A1 P00352 4/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ HPGD P15428 1/20 0.49
▸ TP53 P04637 3/20 0.44
▸ HIF1A Q16665 3/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ATM Q13315 1/20 0.43
▸ THRB P10828 2/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ APP P05067 2/20 0.35

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
SCHEMBL29132463 0.97 HCAR2 (0.58) TSHRHCAR2ALDH1A1CYP3A4HPGD
Maleic Acid SCHEMBL2774692 0.93 TSHR (0.61) TSHRHCAR2ALDH1A1CYP3A4HPGD
SCHEMBL29132468 0.93 TSHR (0.73) TSHRHCAR2ALDH1A1CYP3A4HPGD
Fumaric Acid SCHEMBL2774701 0.93 TSHR (0.61) TSHRHCAR2ALDH1A1CYP3A4HPGD
Fumaric Acid SCHEMBL956152 0.89 TSHR (0.79) TSHRHCAR2ALDH1A1CYP3A4HPGD
Maleic Acid SCHEMBL956148 0.89 TSHR (0.79) TSHRHCAR2ALDH1A1CYP3A4HPGD
Fumaric Acid SCHEMBL30592706 0.89 TSHR (0.79) TSHRHCAR2ALDH1A1CYP3A4HPGD
SCHEMBL5393799 0.88 HCAR2 (0.63) TSHRHCAR2ALDH1A1CYP3A4HPGD
SCHEMBL8893359 0.88 TSHR (0.69) TSHRHCAR2ALDH1A1CYP3A4HPGD
SCHEMBL447514 0.88 TSHR (0.69) TSHRHCAR2ALDH1A1CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117683388-A ABS plastic paint diluent and application thereof 索菲立(福建)新材料科技有限公司 2024-03-12 — — CN claimed
CN-117683388-A ABS plastic paint diluent and application thereof 索菲立(福建)新材料科技有限公司 2024-03-12 — — CN disclosed
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