SCHEMBL2176029

SCHEMBL2176029

CCCCCCCC(=O)c1ccc(OC(=O)OCCCCCC)c(C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRA P10827 13/20 0.46
THRB P10828 12/20 0.46
HSD17B3 P37058 6/20 0.44

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
SCHEMBL2175499 1.00 THRA (0.46) THRATHRBHSD17B3
SCHEMBL2176449 1.00 THRA (0.46) THRATHRBHSD17B3
SCHEMBL2177789 1.00 THRA (0.46) THRATHRBHSD17B3
SCHEMBL2178136 0.98 HSD17B3 (0.44) THRATHRBHSD17B3
SCHEMBL2175250 0.95 HSD17B3 (0.44) THRATHRBHSD17B3
SCHEMBL2175379 0.92 HSD17B3 (0.45) THRATHRBHSD17B3
SCHEMBL2174220 0.88 HSD17B3 (0.46) THRATHRBHSD17B3
SCHEMBL2177454 0.88 HSD17B3 (0.41) THRATHRBHSD17B3
SCHEMBL2175421 0.88 THRA (0.41) THRATHRBHSD17B3
SCHEMBL2176509 0.85 HSD17B3 (0.48) THRATHRBHSD17B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2519218-B1 DIBENZOYL PEROXIDE DERIVATIVES, PREPARATION METHOD THEREOF AND COSMETIC OR DERMATOLOGICAL COMPOSITIONS CONTAINING SAME GALDERMA RES & DEV (FR) 2015-05-27 EP claimed
EP-2519218-A1 DIBENZOYL PEROXIDE DERIVATIVES, PREPARATION METHOD THEREOF AND COSMETIC OR DERMATOLOGICAL COMPOSITIONS CONTAINING SAME Galderma Research & Development (FR) 2012-11-07 EP claimed
WO-2011080469-A1 DIBENZOYL PEROXIDE DERIVATIVES, PREPARATION METHOD THEREOF AND COSMETIC OR DERMATOLOGICAL COMPOSITIONS CONTAINING SAME GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-07-07 WO claimed
EP-2519218-B1 DIBENZOYL PEROXIDE DERIVATIVES, PREPARATION METHOD THEREOF AND COSMETIC OR DERMATOLOGICAL COMPOSITIONS CONTAINING SAME GALDERMA RES & DEV (FR) 2015-05-27 EP disclosed
EP-2519218-A1 DIBENZOYL PEROXIDE DERIVATIVES, PREPARATION METHOD THEREOF AND COSMETIC OR DERMATOLOGICAL COMPOSITIONS CONTAINING SAME Galderma Research & Development (FR) 2012-11-07 EP disclosed
WO-2011080469-A1 DIBENZOYL PEROXIDE DERIVATIVES, PREPARATION METHOD THEREOF AND COSMETIC OR DERMATOLOGICAL COMPOSITIONS CONTAINING SAME GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-07-07 WO disclosed