SCHEMBL18754187

SCHEMBL18754187

CCCCc1ccc(C(=O)OC2CO[C@@H]3[C@@H](OC(=O)c4ccc(C)cc4)CO[C@H]23)cc1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCHE P06276 15/20 0.63
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
RARB P10826 1/20 0.42
PLK1 P53350 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL10306615 1.00 BCHE (0.63) BCHETHRATHRBRARBPLK1
SCHEMBL14264266 1.00 BCHE (0.63) BCHETHRATHRBRARBPLK1
SCHEMBL15764102 1.00 BCHE (0.63) BCHETHRATHRBRARBPLK1
SCHEMBL21704943 1.00 BCHE (0.63) BCHETHRATHRBRARBPLK1
SCHEMBL18232050 0.91 BCHE (0.55) BCHETHRATHRBTP53
SCHEMBL14749470 0.90 BCHE (0.75) BCHETHRATHRBRARB
SCHEMBL18133142 0.90 BCHE (0.75) BCHETHRATHRBRARB
SCHEMBL14767332 0.90 BCHE (0.75) BCHETHRATHRBRARB
SCHEMBL1708831 0.88 BCHE (0.59) BCHETHRATHRB
SCHEMBL21558911 0.88 BCHE (0.54) BCHETHRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2370420-B9 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL INC (US) 2019-11-13 EP disclosed
EP-2370420-B1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL INC (US) 2019-05-22 EP disclosed
EP-2651913-B1 INDENO-FUSED RING COMPOUNDS HAVING PHOTOCHROMIC PROPERTIES TRANSITIONS OPTICAL INC (US) 2017-04-19 EP disclosed