Benzene

Benzene

SCHEMBL5685386

C=CCCC.c1ccccc1

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.80
ALDH1A1 P00352 3/20 0.53

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
SCHEMBL7040 0.89
SCHEMBL1871536 0.89 TSHR (1.00) TSHRALDH1A1
SCHEMBL8468547 0.89 TSHR (1.00) TSHRALDH1A1
Water SCHEMBL11778550 0.86 TSHR (0.92) TSHRALDH1A1
SCHEMBL28582208 0.86
Ammonia Solution, Strong SCHEMBL9417079 0.86 TSHR (0.92) TSHRALDH1A1
Ammonia Solution, Strong SCHEMBL6678273 0.86
Hydrogen Sulfide SCHEMBL6037218 0.86 TSHR (0.92) TSHRALDH1A1
Ammonia Solution, Strong SCHEMBL1539045 0.86
Hydrochloric Acid SCHEMBL29238196 0.86

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-1404176-B1 LIGNIN MICROPARTICLES FOR CONTROLLED RELEASE OF AGRICULTURAL ACTIVES MONSANTO TECHNOLOGY LLC (US) 2006-02-22 EP claimed
US-6013821-A Removal of silylated compounds from solvent and gas waste streams ABBOTT LABORATORIES (US) 2000-01-11 US disclosed
US-3939188-A Preparation of zerovalent phosphine substituted rhodium compounds and their use in the selective carbonylation of olefins EXXON RESEARCH AND ENGINEERING COMPANY (US) 1976-02-17 US disclosed