Benzene

Benzene

SCHEMBL9001603

CC(C)CO[PH](=O)OCC(C)C.c1ccccc1

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.34
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL269435 0.92 ALDH1A1 (0.39) ALDH1A1TSHR
Ethane SCHEMBL3987243 0.89 ALDH1A1 (0.38) ALDH1A1TSHR
Isobutane SCHEMBL3983285 0.89 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL27658516 0.80 LMNA (0.40) ALDH1A1TSHRHPGDNPSR1
Octane SCHEMBL11647979 0.78 TRPM8 (0.40) TSHR
SCHEMBL6281783 0.73 TAAR1 (0.47) ALDH1A1HPGD
SCHEMBL11773792 0.73 ALDH1A1 (0.40) ALDH1A1TSHRHPGDNPSR1
SCHEMBL21549467 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL8332020 0.72
SCHEMBL11697678 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1146467-A Process for preparing phosphorus series flame-retardant unsaturated polyester FINANCIAL GROUP CORP IND TECH (CN) 1997-04-02 CN disclosed
US-5571888-A POLYESTER RESIN MODIFIED WITH PHOSPHONATE GROUP FOR FIREPROOFING INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1996-11-05 US disclosed