Phenol

Phenol

SCHEMBL8459644

C[Ti](C)(C)(C)(C)C1=CC=CC1.Oc1ccccc1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
GLA P06280 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA9 Q16790 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MMP3 P08254 1/20 0.32
BCL2L1 Q07817 1/20 0.32
ESR1 P03372 6/20 0.31
ESR2 Q92731 5/20 0.31
CYP3A4 P08684 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 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 SCHEMBL6753430 1.00 CA12 (0.42) CA12CA1CA2GLACA3
Phenol SCHEMBL8668193 0.87 MAOB (0.41) CA12CA1CA2GLACA3
Methyl Alcohol SCHEMBL6933935 0.81
Methyl Alcohol SCHEMBL8419067 0.81
Methyl Alcohol SCHEMBL8040458 0.81
SCHEMBL140408 0.81
Benzenethiol SCHEMBL5888433 0.81
Hydrochloric Acid SCHEMBL138586 0.79
Iodide SCHEMBL1539699 0.79
Hydrochloric Acid SCHEMBL3671309 0.79

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-0769504-B1 PROCESS FOR PRODUCING STYRENIC POLYMER IDEMITSU KOSAN CO (JP) 1999-11-24 EP disclosed
US-5824753-A MULTISTAGE POLYMERIZATION TO PRODUCE SYNDIOTACTIC CONFIGURATION, HYDROGEN INTRODUCED IN ONE STAGE IDEMITSU KOSAN CO., LTD. (JP) 1998-10-20 US disclosed
EP-0769504-A1 PROCESS FOR PRODUCING STYRENIC POLYMER IDEMITSU KOSAN COMPANY LIMITED (JP) 1997-04-23 EP disclosed