SCHEMBL27738981

SCHEMBL27738981

O=C(CCCCC(=O)OC(=O)c1c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)OC(=O)c1c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)O)OC(=O)c1c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ PAM P19021 2/20 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
Mellitic Acid SCHEMBL27716179 0.89 ALDH1A1 (0.35) TSHRALDH1A1
Mellitic Acid SCHEMBL28261182 0.81 ALDH1A1 (0.56) TSHRALDH1A1
SCHEMBL28049565 0.81 CYP1A2 (0.36) ALDH1A1
SCHEMBL2762802 0.81 CYP1A2 (0.36) ALDH1A1
SCHEMBL28665456 0.79 NAAA (0.49) TSHRMAPK1ALDH1A1LMNAPAM
SCHEMBL27788667 0.78 CYP1A2 (0.35) —
SCHEMBL28210324 0.78 CYP1A2 (0.35) —
SCHEMBL3896406 0.71 TSHR (0.48) TSHRALDH1A1
SCHEMBL9116152 0.71 CYP1A2 (0.33) —
SCHEMBL27871138 0.70 ALDH1A1 (0.43) TSHRALDH1A1

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-103784341-A Cosmetic composition comprising polyester and branched hydrocarbon OREAL 2014-05-14 — — CN disclosed
CN-101411677-A Cosmetic composition comprising a polyester and a branched hydrocarbon compound OREAL (FR) 2009-04-22 — — CN disclosed
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