Pyrrole

Pyrrole

SCHEMBL311019

CC(=O)O.c1cc[nH]c1

nearest known ligand 0.00

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Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Pyrrole. 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
Acetic Acid SCHEMBL27669193 1.00 FFAR3 (0.47)
Pyrrole SCHEMBL28065784 0.97 FFAR3 (0.44)
Pyrrole SCHEMBL28121315 0.94 FFAR3 (0.41)
Pyrrole SCHEMBL3807182 0.90
Piperazine SCHEMBL3548665 0.87 KMT2A (0.40)
Pyrrole SCHEMBL11344690 0.86
Pyridine SCHEMBL28062987 0.84 NAPRT (0.43)
Pyrrole SCHEMBL6770118 0.84
Pyrrole SCHEMBL9980539 0.84
Oxalic Acid SCHEMBL9047749 0.83 OR51E2 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3948275-A1 DIAGNOSTIC FOR CHILDHOOD RISK OF AUTISM SPECTRUM DISORDER Arizona Board of Regents on behalf of Arizona State University (US) 2022-02-09 EP claimed
CN-110407989-B Method for preparing self-polymerization biological material by taking lignocellulose furfural residues as raw materials 中国科学院大连化学物理研究所 2021-10-15 CN claimed
WO-2020206444-A1 DIAGNOSTIC FOR CHILDHOOD RISK OF AUTISM SPECTRUM DISORDER ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2020-10-08 WO claimed
CN-107096567-A The composite catalyst and preparation method of synthesis of propylene glycol 中国科学院过程工程研究所 2017-08-29 CN claimed
CN-105617459-A Preparation method for nano polypyrrole chitin nerve conduit SUZHOU HEALTH COLLEGE 2016-06-01 CN claimed
US-8329682-B2 Pyrrolo-nitrogenous heterocyclic derivatives, the preparation and the pharmaceutical use thereof SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-12-11 US claimed
CN-101307052-B Method for preparing pyrrole-N-heterocyclic ring derivates and medical application thereof SHANGHAI HENGRUI PHARM CO LTD 2011-08-17 CN claimed
US-20100075952-A1 PYRROLO-NITROGENOUS HETEROCYCLIC DERIVATIES,THE PREPARATION AND THE PHARMCETICAL USE THEEOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD (CN) 2010-03-25 US claimed
EP-2157093-A1 PYRROLO-NITROGENOUS HETEROCYCLIC DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2010-02-24 EP claimed
EP-1475370-B1 OPTICALLY ACTIVE AZOLE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME MITSUI CHEMICALS INC (JP) 2009-08-05 EP claimed
CN-101307052-A Method for preparing pyrrole-N-heterocyclic ring derivates and medical application thereof SHANGHAI HENGRUI PHARM CO LTD (CN) 2008-11-19 CN claimed
US-7271185-B2 Optically active azole derivative and process for producing the same MITSUI CHEMICALS, INC. (JP) 2007-09-18 US claimed
US-20050085521-A1 Optically active azole derivative and process for producing the same MITSUI CHEMICALS, INC. (JP) 2005-04-21 US claimed
EP-1475370-A1 OPTICALLY ACTIVE AZOLE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Mitsui Chemicals, Inc. (JP) 2004-11-10 EP claimed
US-4867979-A NON-STEROIDAL ANTIINFLAMMATORY AND HYDROABSORPTIVE AGENT RICHARDSON-VICKS INC. (US) 1989-09-19 US claimed
US-4299770-A Recovery of substituted pyrrole acetate MALLINCKRODT, INC. (US) 1981-11-10 US claimed
JP-6025305-A None JP disclosed
JP-52014762-A None JP disclosed
US-4299770-A Recovery of substituted pyrrole acetate MALLINCKRODT, INC. (US) 1981-11-10 US disclosed
JP-S5214762-A PREPARATION OF SUBSTITUTED PYRROL ACETIC DERIVATIVES MITSUBISHI PETROCHEM CO LTD 1977-02-03 JP disclosed