Phenol

Phenol

SCHEMBL4433100

CCCCC1=C([Hf+2]C2=C(CCCC)C=CC2)CC=C1.[O-]c1ccccc1.[O-]c1ccccc1

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 1/20 0.32
ORAI2 Q96SN7 1/20 0.32
ORAI3 Q9BRQ5 1/20 0.32
TRPV6 Q9H1D0 1/20 0.32

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
Hydrochloric Acid SCHEMBL45368 0.84
SCHEMBL4576636 0.84
Fluoride Ion SCHEMBL1130342 0.84
Bromide SCHEMBL28815501 0.84
Hydrochloric Acid SCHEMBL27432298 0.84 MEN1 (0.30) ORAI1ORAI2ORAI3TRPV6
Hydrochloric Acid SCHEMBL5486364 0.82
Hydrochloric Acid SCHEMBL2277860 0.81
Syringol SCHEMBL7939591 0.80 ALOX5 (0.36)
Phenol SCHEMBL7930338 0.79 ORAI1 (0.32) ORAI1ORAI2ORAI3TRPV6
Hydrochloric Acid SCHEMBL2276757 0.79 TDP1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125846-A2 PROCESS FOR PREPARING DIALKYL OXIDE METALLOCENES OR DIARYL OXIDE METALLOCENES Chemtura Organometallics GmbH (DE) 2009-12-02 EP claimed
WO-2008104382-A2 PROCESS FOR PREPARING DIALKYL OXIDE METALLOCENES OR DIARYL OXIDE METALLOCENES CHEMTURA ORGANOMETALLICS GMBH (DE) 2008-09-04 WO claimed