SCHEMBL157158

SCHEMBL157158

[C]#Cc1ccccn1

nearest known ligand 0.00

⚠ 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
SCHEMBL1749886 0.78 GRM5 (0.48)
SCHEMBL1749887 0.78 GRM5 (0.48)
SCHEMBL352291 0.78 GRM5 (0.65)
SCHEMBL1467021 0.76
SCHEMBL2266642 0.74
SCHEMBL11307963 0.74
SCHEMBL4653 0.74
SCHEMBL4927688 0.74 GRM5 (0.55)
SCHEMBL1567855 0.74
SCHEMBL206132 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117999262-A N-substituted inhibitors of membrane iron transport proteins 威佛(国际)股份公司 2024-05-07 CN claimed
WO-2023239846-A1 HETEROCYCLIC COMPOUNDS AS PI3KΑ INHIBITORS SYNNOVATION THERAPEUTICS, INC. (US) 2023-12-14 WO claimed
CN-112955422-B polycyclic compound 三菱瓦斯化学株式会社 2023-08-22 CN claimed
CN-112299982-B Triptycene-based linear acene compound and synthesis and application thereof 北京化工大学 2023-02-10 CN claimed
US-20210355058-A1 POLYCYCLIC COMPOUNDS MITSUBISHI GAS CHEMICAL CO (JP) 2021-11-18 US claimed
US-20210340317-A1 POLYCYCLIC COMPOUNDS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2021-11-04 US claimed
CN-112955422-A Polycyclic compounds 三菱瓦斯化学株式会社 2021-06-11 CN claimed
CN-112299982-A Triptycene-based linear acene compound and synthesis and application thereof 北京化工大学 2021-02-02 CN claimed
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US claimed
EP-3728214-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2020-10-28 EP claimed
WO-1998033382-A1 FUNGICIDAL COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-08-06 WO claimed
WO-1998023155-A1 ARTHROPODICIDAL AND FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-06-04 WO claimed
WO-1998020003-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-05-14 WO claimed
EP-0836384-A1 ARTHROPODICIDAL AND FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-04-22 EP claimed
WO-1998005652-A2 ARTHROPODICIDAL AND FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-02-12 WO claimed
US-5712264-A 17-spiromethylene steroids AKZO NOBEL N.V. (NL) 1998-01-27 US claimed
WO-1997000612-A1 ARTHROPODICIDAL AND FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-01-09 WO claimed
WO-1996036229-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-11-21 WO claimed
US-5294737-A Hydrolysis, cyclization, condensation THE RESEARCH FOUNDATION STATE UNIVERSITY OF NEW YORK (US) 1994-03-15 US claimed
EP-0245170-B1 19-NOR OR 19-NOR D-HOMO STEROIDS SUBSTITUTED AT POSITION 11 BETA BY A PHENYL GROUP SUBSTITUTED BY AN ALKYNYL GROUP, PROCESS FOR THEIR PREPARATION, THEIR USE IN MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1989-11-29 EP claimed