Benzene

Benzene

SCHEMBL9007601

COC(C)C.c1ccccc1

nearest known ligand 0.32

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Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA4 P22748 1/20 0.32
THRB P10828 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
SCHEMBL28095 0.85
Water SCHEMBL21382979 0.80
SCHEMBL29016166 0.80
Water SCHEMBL8992419 0.80
Hydrochloric Acid SCHEMBL29021149 0.80
Ammonia Solution, Strong SCHEMBL6935688 0.80
Benzene SCHEMBL3361615 0.78 THRB (0.30) CA4THRB
SCHEMBL9180817 0.76
Hydrochloric Acid SCHEMBL28462634 0.76
Benzene SCHEMBL4576547 0.73 ALDH1A1 (0.32) ALDH1A1L3MBTL1

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-0265053-B1 Living polymerization of olefins to end-functionalized polymers KENNEDY JOSEPH PAUL (US) 1996-10-23 EP disclosed
US-5066730-A Catalyst is reaction product of Lewis acid and organic ether, polarization of ether bond to form a cationic carbon THE UNIVERSITY OF AKRON (US) 1991-11-19 US disclosed
WO-1990010657-A1 POLYURETHANE FOAM THE UNIVERSITY OF AKRON (US) 1990-09-20 WO disclosed
US-4939184-A DIOL IS HYDROXY ENDCAPPED POLYISOBUTYLENE UNIVERSITY OF AKRON (US) 1990-07-03 US disclosed
US-4929683-A ORGANIC ETHER, LEWIS ACID COMPLEX UNIVERSITY OF AKRON (US) 1990-05-29 US disclosed
EP-0265053-A2 Living polymerization of olefins to end-functionalized polymers Kennedy, Joseph Paul (US) 1988-04-27 EP disclosed