Benzene

Benzene

SCHEMBL6553786

O=[PH](Cl)Cl.c1ccccc1

nearest known ligand 0.33

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL56793 0.82
Biphenyl SCHEMBL2336844 0.78 ALDH1A1 (0.60) TSHR
Hydrochloric Acid SCHEMBL10824836 0.76
Ethane SCHEMBL11418141 0.71
Hydrochloric Acid SCHEMBL10529270 0.71
Ethylene SCHEMBL10775567 0.71
Benzene SCHEMBL671451 0.67 TP53 (0.33) TP53TSHR
Benzene SCHEMBL196921 0.67 TP53 (0.33) TP53TSHR
Cyclohexane SCHEMBL11422209 0.67
Chloroform SCHEMBL11670800 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4252740-A ADDING CHARCOAL TO ADSORB IMPURITIES; VERY PURE AND HEAT RESISTANT BENZENEPHOSPHONIC DIHALIDE PRODUCT STAUFFER CHEMICAL COMPANY (US) 1981-02-24 US claimed
EP-0010368-A1 Process for production of benzene phosphonic dihalide STAUFFER CHEMICAL COMPANY (US) 1980-04-30 EP claimed
EP-0710165-B1 POLYURETHANE-FORMING BINDER SYSTEMS CONTAINING 2,2'-DIPYRIDYL, 1,10-PHENANTHROLINE, AND THEIR SUBSTITUTED ALKYL DERIVATIVES ASHLAND OIL INC (US) 2004-02-25 EP disclosed
US-5688857-A FOUNDRY AGGREGATE; SHAPING, CURING USING TERTIARY AMINE CURING AGENT ASHLAND INC. (US) 1997-11-18 US disclosed
WO-1997037798-A1 POLYURETHANE-FORMING COLD-BOX BINDERS AND THEIR USES ASHLAND INC. (US) 1997-10-16 WO disclosed
EP-0710165-A4 POLYURETHANE-FORMING BINDER SYSTEMS CONTAINING 2,2'-DIPYRIDYL, 1,10-PHENANTHROLINE, AND THEIR SUBSTITUTED ALKYL DERIVATIVES ASHLAND OIL INC (US) 1996-10-02 EP disclosed
EP-0710165-A1 POLYURETHANE-FORMING BINDER SYSTEMS CONTAINING 2,2'-DIPYRIDYL, 1,10-PHENANTHROLINE, AND THEIR SUBSTITUTED ALKYL DERIVATIVES ASHLAND OIL, INC. (US) 1996-05-08 EP disclosed
US-5447968-A Aggregates, binders and phenolic resins with polyisocyanates ASHLAND INC. (US) 1995-09-05 US disclosed
WO-1995003903-A2 POLYURETHANE BINDER SYSTEMS CONTAINING 2,2'-DIPYRIDYL, 1,10-PHENANTHROLINE, AND DERIVATIVES ASHLAND OIL, INC. (US) 1995-02-09 WO disclosed
US-4394255-A SHIFTING OLEFIN DOUBLE BOND, ZIRCONIUM PHOSPHATE AND PHOSPHONATE CATALYSTS PHILLIPS PETROLEUM COMPANY (US) 1983-07-19 US disclosed
US-4391761-A Process for the production of aryl phosphonyl compounds BAYER AKTIENGESELLSCHAFT (DE) 1983-07-05 US disclosed
EP-0010368-B1 PROCESS FOR PRODUCTION OF BENZENE PHOSPHONIC DIHALIDE STAUFFER CHEMICAL COMPANY (US) 1982-03-17 EP disclosed
US-4252740-A ADDING CHARCOAL TO ADSORB IMPURITIES; VERY PURE AND HEAT RESISTANT BENZENEPHOSPHONIC DIHALIDE PRODUCT STAUFFER CHEMICAL COMPANY (US) 1981-02-24 US disclosed
US-4212832-A REACTING PHOSPHONIC OR PHOSPHORIC ACID ARYL ESTER WITH FORMALDEHYDE AND SULFURIC ACID; FLAME-PROOFING AGENT BAYER AKTIENGESELLSCHAFT (DE) 1980-07-15 US disclosed
EP-0010368-A1 Process for production of benzene phosphonic dihalide STAUFFER CHEMICAL COMPANY (US) 1980-04-30 EP disclosed