Phenol

Phenol

SCHEMBL5273286

Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.[Zr]C1C2C=CC=CC2C2CCCCC12

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
GLA P06280 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA14 Q9ULX7 1/20 0.35
POLB P06746 1/20 0.32
ESR1 P03372 2/20 0.30
ESR2 Q92731 1/20 0.30

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
Chloromethane SCHEMBL8155679 0.77 EPAS1 (0.34)
Phenol SCHEMBL28058167 0.70 CA12 (0.58) CA12CA1CA2GLACA3
Phenol SCHEMBL27696535 0.70 CA12 (0.58) CA12CA1CA2GLACA3
Biphenyl SCHEMBL1516111 0.68 CA12 (0.55) CA12CA1CA2GLACA3
SCHEMBL16459100 0.66 KEAP1 (0.33)
SCHEMBL12815692 0.66 GAA (0.38)
Cyclohexanol SCHEMBL7159201 0.63 CA12 (0.52) CA12CA1CA2GLACA3
Phenol SCHEMBL4620070 0.63 CA12 (0.52) CA12CA1CA2GLACA3
Phenol SCHEMBL918731 0.62 CA12 (0.79) CA12CA1CA2GLACA3
Phenol SCHEMBL2493293 0.62 CA12 (0.79) CA12CA1CA2GLACA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640090-B2 PROCESS FOR PREPARATION OF MONOCYCLOPENTADIENYL METAL COMPLEX COMPOUNDS AND METHOD OF USE DOW CHEMICAL CO (US) 2007-11-28 EP disclosed
EP-0640090-B1 PROCESS FOR PREPARATION OF MONOCYCLOPENTADIENYL METAL COMPLEX COMPOUNDS AND METHOD OF USE DOW CHEMICAL CO (US) 1998-09-02 EP disclosed
US-5399635-A Process for preparation of monocyclopentadienyl metal complex compounds and method of use THE DOW CHEMICAL COMPANY (US) 1995-03-21 US disclosed
EP-0640090-A1 PROCESS FOR PREPARATION OF MONOCYCLOPENTADIENYL METAL COMPLEX COMPOUNDS AND METHOD OF USE THE DOW CHEMICAL COMPANY (US) 1995-03-01 EP disclosed
US-5350723-A Process for preparation of monocyclopentadienyl metal complex compounds and method of use THE DOW CHEMICAL COMPANY (US) 1994-09-27 US disclosed
WO-1993023412-A1 PROCESS FOR PREPARATION OF MONOCYCLOPENTADIENYL METAL COMPLEX COMPOUNDS AND METHOD OF USE THE DOW CHEMICAL COMPANY (US) 1993-11-25 WO disclosed