Sugi Predict

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Phenol

Phenol

SCHEMBL4436632

C1=C[C@@H]([Zr+2]2([C@H]3C=Cc4ccccc43)CC2)c2ccccc21.[O-]c1ccccc1.[O-]c1ccccc1

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.34
▸ SIGMAR1 Q99720 2/20 0.32
▸ HTR2A P28223 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
Phenol SCHEMBL437384 1.00 HTR6 (0.34) HTR6SIGMAR1HTR2A
SCHEMBL6357318 0.88 HTR2A (0.33) HTR6SIGMAR1HTR2A
SCHEMBL5839790 0.88 HTR2A (0.35) HTR6HTR2A
Hydrochloric Acid SCHEMBL151866 0.88 HTR2A (0.35) HTR6HTR2A
Hydrochloric Acid SCHEMBL648408 0.88 HTR2A (0.35) HTR6HTR2A
Bromide SCHEMBL616105 0.88 HTR2A (0.39) HTR6HTR2A
Fluoride Ion SCHEMBL1130929 0.88 HTR2A (0.35) HTR6HTR2A
Hydrochloric Acid SCHEMBL8017987 0.86 HTR6 (0.33) HTR6SIGMAR1HTR2A
Hydrochloric Acid SCHEMBL7190324 0.86 HTR2A (0.34) HTR6HTR2A
Phenol SCHEMBL9986757 0.83 RARA (0.30) —

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