SCHEMBL9460655

SCHEMBL9460655

CC(C)(C)c1ccc2cc(-c3c(OP(O)O)ccc(C(F)(F)F)c3-c3cc4ccc(C(C)(C)C)cc4cc3C(C)(C)C)c(C(C)(C)C)cc2c1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.33

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
SCHEMBL9460621 0.93 NR1I2 (0.36) NR1I2
SCHEMBL9171417 0.82 NR1I2 (0.32) NR1I2
SCHEMBL9175979 0.82 GPR84 (0.35) NR1I2
SCHEMBL8928187 0.80
SCHEMBL29489558 0.80 CA1 (0.32) NR1I2
SCHEMBL561408 0.80 CA1 (0.32) NR1I2
SCHEMBL7211268 0.78 NR1I2 (0.35) NR1I2
SCHEMBL9460157 0.78 NR1I2 (0.31) NR1I2
SCHEMBL9175360 0.78 GPR84 (0.37)
SCHEMBL9174831 0.77 NR1I2 (0.31) NR1I2

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
US-5227532-A Hydroformylation of olefin, rhodium catalyst, phosphite promoter MITSUBISHI KASEI CORPORATION (JP) 1993-07-13 US disclosed