Benzene

Benzene

SCHEMBL6003979

C=C(C)C(=C)C.[LiH].[LiH].c1ccccc1

nearest known ligand 0.42

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 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
Benzene SCHEMBL4426066 1.00 TDP1 (0.35) TDP1ALDH1A1KDM4ETP53TSHR
Benzene SCHEMBL134227 0.95 TDP1 (0.38) TDP1ALDH1A1KDM4ETP53TSHR
SCHEMBL20268130 0.85
SCHEMBL10852752 0.85
Benzene SCHEMBL1685406 0.80 TP53 (0.36) TDP1ALDH1A1KDM4ETP53TSHR
Benzene SCHEMBL17504475 0.80 TP53 (0.36) TDP1ALDH1A1KDM4ETP53TSHR
SCHEMBL23446 0.80
Benzene SCHEMBL28137282 0.76 TP53 (0.33) TDP1ALDH1A1TP53TSHR
Biphenyl SCHEMBL2343742 0.75 ALDH1A1 (0.56) TDP1ALDH1A1KDM4E
Methacrylic Acid SCHEMBL225835 0.75 TDP1 (0.47) TDP1ALDH1A1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339783-B1 ELASTOMERIC COMPOSITION COMPRISING A FUNCTIONALIZED ELASTOMER POLIMERI EUROPA SPA (IT) 2006-05-03 EP disclosed
US-7015277-B2 Elastomeric composition comprising a functionalized elastomer POLIMERI EUROPA S.P.A. (IT) 2006-03-21 US disclosed
US-20040152822-A1 Elastomeric composition comprising a functionalized elastomer POLIMERI EUROPA S.P.A. (IT) 2004-08-05 US disclosed
US-20040019144-A1 Elastomeric composition useful for tire treads ENICHEM ELASTOMERI S.R.L. (IT) 2004-01-29 US disclosed
EP-1339783-A1 ELASTOMERIC COMPOSITION COMPRISING A FUNCTIONALIZED ELASTOMER Polimeri Europa S.p.A. (IT) 2003-09-03 EP disclosed
US-20030120007-A1 ELASTOMERIC COMPOSITION USEFUL AS TIRE TREADS BORTOLOTTI MICHELE (IT) 2003-06-26 US disclosed
WO-2002040585-A1 ELASTOMERIC COMPOSITION COMPRISING A FUNCTIONALIZED ELASTOMER POLIMERI EUROPA S.P.A. (IT) 2002-05-23 WO disclosed
EP-0763564-B1 Elastomeric composition useful for tyre treads ENICHEM SPA (IT) 2001-03-21 EP disclosed
EP-0763564-A2 elastomeric composition useful for tyre treads ENICHEM ELASTOMERI S.r.l. (IT) 1997-03-19 EP disclosed