Benzenethiol

Benzenethiol

SCHEMBL1260888

[K+].[S-]c1ccccc1

nearest known ligand 0.00

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Known targets — ChEMBL curated mechanism

AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA

The experimentally established mechanism targets of Benzenethiol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Benzenethiol SCHEMBL5608684 0.92 TSHR (0.44) —
Benzenethiol SCHEMBL9291187 0.92 TSHR (0.44) —
Benzenethiol SCHEMBL5569348 0.92 TSHR (0.44) —
Benzenethiol SCHEMBL1315353 0.92 — —
Benzenethiol SCHEMBL5608678 0.92 TSHR (0.44) —
Benzenethiol SCHEMBL425159 0.92 — —
Benzenethiol SCHEMBL11305238 0.92 TSHR (0.44) —
Benzenethiol SCHEMBL10683669 0.92 — —
Benzenethiol SCHEMBL9488288 0.92 TSHR (0.44) —
Benzenethiol SCHEMBL9292290 0.92 TSHR (0.44) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024171769-A1 METHOD FOR PRODUCING ALKYLATED COMPOUND 国立大学法人 東京大学 2024-08-22 — — WO claimed
CN-113278153-B Polymer, process for producing the same and process for depolymerizing the same 北京大学 2024-07-12 — — CN claimed
US-20220177645-A1 END-GROUP ISOMERIZATION OF POLY(ALKYLENE CARBONATE) POLYMERS SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2022-06-09 — — US claimed
US-20100292490-A1 A PROCESS FOR PRODUCING GAMMA MANGOSTIN LAILA NUTRACEUTICALS (IN) 2010-11-18 — — US claimed
WO-2009093259-A2 A PROCESS FOR PRODUCING γ-MANGOSTIN GOKARAJU GANGA RAJU (IN) 2009-07-30 — — WO claimed
US-20070065756-A1 HIGH SENSITIVITY ELECTRON BEAM RESIST PROCESSING QUANTISCRIPT INC., UNIVERSITE DE SHERBROOKE (CA) 2007-03-22 — — US claimed
WO-2007030918-A1 HIGH SENSITIVITY ELECTRON BEAM RESIST PROCESSING QUANTISCRIPT INC. (CA) 2007-03-22 — — WO claimed
EP-1144470-B1 THERMALLY STABLE POLYETHERAMINES DOW GLOBAL TECHNOLOGIES INC (US) 2005-11-30 — — EP claimed
US-6589621-B1 A blend of an inorganic base, an organic base, a monofunctional organic nucleophile or a multifunctional organic nucleophile and a thermoplastic hydroxy-functionalized polyetheramine DOW GLOBAL TECHNOLOGIES INC. 2003-07-08 — — US claimed
EP-1144470-A3 THERMALLY STABLE POLYETHERAMINES THE DOW CHEMICAL COMPANY (US) 2002-03-13 — — EP claimed
EP-1144470-A2 THERMALLY STABLE POLYETHERAMINES THE DOW CHEMICAL COMPANY (US) 2001-10-17 — — EP claimed
EP-1023354-A1 THERMALLY STABLE POLYETHERAMINES THE DOW CHEMICAL COMPANY (US) 2000-08-02 — — EP claimed
WO-2000001750-A2 THERMALLY STABLE POLYETHERAMINES THE DOW CHEMICAL COMPANY (US) 2000-01-13 — — WO claimed
US-5962093-A Thermally stable polyetheramines THE DOW CHEMICAL COMPANY (US) 1999-10-05 — — US claimed
WO-1999020673-A1 THERMALLY STABLE POLYETHERAMINES THE DOW CHEMICAL COMPANY (US) 1999-04-29 — — WO claimed
US-5049236-A Lignin derived quinonic compound mixtures useful for the delignification of cellulosic materials INSTITUTE OF PAPER SCIENCE AND TECHNOLOGY, INC. (US) 1991-09-17 — — US claimed
JP-3086862-A — — None — — JP disclosed
EP-4536643-A1 BENZOPYRIMIDIN-4(3H)-ONES AS PI3K INHIBITORS OnKure, Inc. (US) 2025-04-16 — — EP disclosed
US-4073780-A INTERMEDIATE FOR A PENICILLANIC ACID PFIZER INC. (US) 1978-02-14 — — US disclosed
US-3989685-A FROM PENICILLIN-1-OXIDE SHINOGI & CO., LTD. (JA) 1976-11-02 — — US disclosed
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