Benzene

Benzene

SCHEMBL4445625

c1ccc(Pc2ccccc2)cc1.c1ccccc1

nearest known ligand 0.44

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
GLA P06280 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ALDH1A1 P00352 4/20 0.40
TSHR P16473 5/20 0.35
ALOX12 P18054 2/20 0.35
LMNA P02545 1/20 0.35
ACHE P22303 1/20 0.35
CA7 P43166 1/20 0.35
MMP3 P08254 1/20 0.35
BCL2L1 Q07817 1/20 0.35
HSD17B10 Q99714 2/20 0.33
CYP2A6 P11509 1/20 0.33
MAPT P10636 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
SCHEMBL49343 1.00 TDP1 (0.44) TDP1CA1CA2CA9CA12
Benzene SCHEMBL28943358 1.00 TDP1 (0.44) TDP1CA1CA2CA9CA12
Methane SCHEMBL8857655 0.96 TDP1 (0.41) TDP1CA1CA2CA9CA12
SCHEMBL9542822 0.96 TDP1 (0.41) TDP1CA1CA2CA9CA12
SCHEMBL18787589 0.96 TDP1 (0.41) TDP1CA1CA2CA9CA12
Ammonia Solution, Strong SCHEMBL23797888 0.96 TDP1 (0.41) TDP1CA1CA2CA9CA12
Iodide SCHEMBL2939093 0.96 TDP1 (0.41) TDP1CA1CA2CA9CA12
SCHEMBL21597050 0.96 TDP1 (0.41) TDP1CA1CA2CA9CA12
SCHEMBL21597051 0.96 TDP1 (0.41) TDP1CA1CA2CA9CA12
SCHEMBL184292 0.96 TDP1 (0.41) TDP1CA1CA2CA9CA12

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 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118307554-A E-containing double bond 11-membered ring compound and preparation method thereof 天津大学 2024-07-09 CN claimed
CN-118290261-A Esterification method of aryl fluorosulfonate and aryl formate 南京工业大学 2024-07-05 CN claimed
CN-118241252-A Cadmium doped metal nanocluster and application thereof in electrocatalytic oxygen reduction reaction 安徽大学 2024-06-25 CN claimed
CN-114349594-B Method and reactor for preparing polyhalogenated hydrocarbon 西安近代化学研究所 2024-02-20 CN claimed
CN-117567510-A Metal organophosphorus complex scintillator and preparation method and application thereof 福州大学 2024-02-20 CN claimed
CN-117466695-A Cobalt-catalyzed alkyne synthesis method 合肥工业大学 2024-01-30 CN claimed
CN-117024354-B Preparation method of Rui Mi Buti Ni 天津凯莱英制药有限公司 2023-12-08 CN claimed
CN-117024354-A Preparation method of Rui Mi Buti Ni 天津凯莱英制药有限公司 2023-11-10 CN claimed
CN-116102584-A 3, 3-gem difluoro allyl compound, preparation method and application thereof 中国科学院上海有机化学研究所 2023-05-12 CN claimed
CN-109694350-B Compound containing fluoromethyl and preparation method thereof 中国科学院上海有机化学研究所 2023-05-09 CN claimed
CN-105218595-A A kind of iron iron hydrogenase model thing containing [2P2N] Cu (I) photosensitizers and preparation method thereof UNIV NANKAI 2016-01-06 CN claimed
EP-2024439-B1 CURABLE SILICONE RESIN COMPOSITION AND CURED BODY THEREOF DOW CORNING TORAY CO LTD (JP) 2012-06-27 EP claimed
US-20090298980-A1 Curable Silicone Resin Composition and Cured Body Thereof DOW CORNING TORAY CO., LTD. (JP) 2009-12-03 US claimed
EP-2024439-A1 CURABLE SILICONE RESIN COMPOSITION AND CURED BODY THEREOF Dow Corning Toray Co., Ltd. (JP) 2009-02-18 EP claimed
CN-101253207-A Process for producing thermoplastic elastomer material PIRELLI & C SPA (IT) 2008-08-27 CN claimed
EP-1919972-A1 PROCESS FOR MANUFACTURING A THERMOPLASTIC ELASTOMERIC MATERIAL Pirelli & C. S.p.A. (IT) 2008-05-14 EP claimed
WO-2007132932-A1 CURABLE SILICONE RESIN COMPOSITION AND CURED BODY THEREOF DOW CORNING TORAY CO., LTD. (JP) 2007-11-22 WO claimed
WO-2007025556-A1 PROCESS FOR MANUFACTURING A THERMOPLASTIC ELASTOMERIC MATERIAL PIRELLI & C. S.P.A. (IT) 2007-03-08 WO claimed
CN-1032351-C Process for selective preparation of alkenecarboxylic acid derivatives SHELL INT RESEARCH (NL) 1996-07-24 CN claimed
CN-87107325-A Selective preparation of alkene carboxylic acid derivatives 1988-06-22 CN claimed