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SCHEMBL1159412

SCHEMBL1159412

Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1-c1c(OP(Oc2ccc(C(C)(C)C)c(-c3c(C)cc(C(C)(C)C)cc3C(C)(C)C)c2-c2c(C)cc(C(C)(C)C)cc2C(C)(C)C)Oc2ccc(C(C)(C)C)c(-c3c(C)cc(C(C)(C)C)cc3C(C)(C)C)c2-c2c(C)cc(C(C)(C)C)cc2C(C)(C)C)ccc(C(C)(C)C)c1-c1c(C)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.31
▸ POLB P06746 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
SCHEMBL1159413 0.88 HTR1D (0.30) KDM4E
SCHEMBL1159954 0.79 CNR2 (0.33) —
SCHEMBL561407 0.76 CA1 (0.33) KDM4E
SCHEMBL14640748 0.74 KDM4E (0.44) KDM4E
SCHEMBL26607 0.73 CA1 (0.41) KDM4E
SCHEMBL29349873 0.73 CA1 (0.41) KDM4E
SCHEMBL19514039 0.72 CA1 (0.40) KDM4E
Phosphine SCHEMBL7943984 0.72 CA1 (0.40) KDM4E
Potassium SCHEMBL31621706 0.72 CA1 (0.40) KDM4E
SCHEMBL5608973 0.72 CA1 (0.40) KDM4E

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
US-8183311-B2 Liquid phosphite composition derived from cresols CHEMTURA CORPORATION (US) 2012-05-22 — — US disclosed
WO-2011014211-A1 LIQUID PHOSPHITE COMPOSITION DERIVED FROM META-CRESOLS CHEMTURA CORPORATION (US) 2011-02-03 — — WO disclosed
US-20100076125-A1 LIQUID PHOSPHITE COMPOSITION DERIVED FROM CRESOLS CHEMTURA CORPORATION (US) 2010-03-25 — — US disclosed