SCHEMBL29475261

SCHEMBL29475261

Fc1cc([Ti]c2cc(F)cc(-n3cccc3)c2F)c(F)c(-n2cccc2)c1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 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
SCHEMBL5716054 0.66 ALDH1A1 (0.34) CYP19A1ALDH1A1PKM
SCHEMBL5715769 0.64 CYP19A1 (0.40) CYP19A1ALDH1A1PKM
SCHEMBL9337373 0.61 MAPT (0.39) ALDH1A1PKM
SCHEMBL27873253 0.61 P2RX7 (0.41) CYP19A1ALDH1A1PKM
SCHEMBL29280167 0.61 CA3 (0.41) CYP19A1ALDH1A1PKM
SCHEMBL9289788 0.60 LMNA (0.38) CYP19A1ALDH1A1
SCHEMBL29350122 0.60 ALDH1A1 (0.34) ALDH1A1PKM
SCHEMBL8977414 0.60 KDM4E (0.46) CYP19A1ALDH1A1PKM
SCHEMBL28165601 0.60 CES2 (0.30)
SCHEMBL9290209 0.59 LMNA (0.37) CYP19A1ALDH1A1PKM

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
EP-3712185-B1 (METH)ACRYLIC BLOCK COPOLYMER, AND ACTIVE-ENERGY-RAY-CURABLE COMPOSITION CONTAINING SAME KURARAY CO (JP) 2022-03-23 EP disclosed