SCHEMBL22294679

SCHEMBL22294679

Bc1ccc(C(C)(c2ccc(B)cc2)c2ccc(-c3cc4c(c5ccccc35)CC4)cc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.31
▸ ESR2 Q92731 2/20 0.31
▸ GRM2 Q14416 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
SCHEMBL18328349 0.86 ESR2 (0.49) ESR1ESR2
SCHEMBL30541551 0.84 ALDH1A1 (0.34) ESR1ESR2GRM2
SCHEMBL18328353 0.84 ALDH1A1 (0.34) ESR1ESR2GRM2
SCHEMBL18328351 0.84 — —
SCHEMBL18373704 0.71 DRD2 (0.35) ESR1
SCHEMBL16658287 0.70 ADRA2A (0.37) —
SCHEMBL13227384 0.68 ESR1 (0.44) ESR1ESR2
SCHEMBL18328348 0.67 TDP1 (0.34) —
SCHEMBL30849134 0.67 TDP1 (0.34) —
SCHEMBL18328346 0.65 MAOA (0.46) —

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-3115395-B1 POLYMER, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY DEVICE, AND ORGANIC EL LIGHTING DEVICE MITSUBISHI CHEM CORP (JP) 2020-08-05 — — EP disclosed
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