Benzene

Benzene

SCHEMBL7595658

CC(C)C=O.c1ccccc1

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ALDH1A1 P00352 1/20 0.30
CYP2A6 P11509 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
Isobutyraldehyde SCHEMBL27574493 0.87
Isobutyraldehyde SCHEMBL2996 0.87
Isobutyraldehyde SCHEMBL18287436 0.87
Isobutyraldehyde SCHEMBL788159 0.87 ADH1B (0.38) ADH1BADH1CADH1A
Isobutyraldehyde SCHEMBL2635854 0.87 ADH1B (0.38) ADH1BADH1CADH1A
Isobutyraldehyde SCHEMBL9351587 0.82
Isobutyraldehyde SCHEMBL404627 0.82
Isobutyraldehyde SCHEMBL3458543 0.82
Isobutyraldehyde SCHEMBL20816986 0.82
Isobutyraldehyde SCHEMBL2899946 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733696-B1 Lubricating oil dispersants ETHYL PETROLEUM ADDITIVES LTD (GB) 2002-10-30 EP disclosed
EP-0733697-B1 Post-treated dispersants ETHYL PETROLEUM ADDITIVES LTD (GB) 2000-05-10 EP disclosed
EP-0733696-A1 Lubricating oil dispersants ETHYL PETROLEUM ADDITIVES LIMITED (GB) 1996-09-25 EP disclosed
EP-0733697-A1 Post-treated dispersants ETHYL PETROLEUM ADDITIVES LIMITED (GB) 1996-09-25 EP disclosed
US-4089815-A Photopolymerization initiators SUN CHEMICAL CORPORATION (US) 1978-05-16 US disclosed
US-3992363-A POLY(TRICHLOROACETYL-STYRENE) SUN CHEMICAL CORPORATION (US) 1976-11-16 US disclosed
US-3978133-A UNSATURATED MONOMERS, POLYHALOACETYL SUN CHEMICAL CORPORATION (US) 1976-08-31 US disclosed