SCHEMBL951386

SCHEMBL951386

C=CCc1c[nH]nn1

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
SCHEMBL8110509 0.81
SCHEMBL9429021 0.77
SCHEMBL4324570 0.75
SCHEMBL18530621 0.74 ALDH1A1 (0.38)
SCHEMBL8054710 0.74
SCHEMBL4892992 0.74
SCHEMBL11386591 0.74
SCHEMBL8722271 0.74 ALDH1A1 (0.39)
SCHEMBL269126 0.73
SCHEMBL1680475 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118251395-A Esatitecan derivatives and antibody-drug conjugates thereof ALX肿瘤学股份有限公司 2024-06-25 CN claimed
EP-3911416-B1 SUBSTITUTED QUINAZOLINES AS NLRP3 MODULATORS, FOR USE IN THE TREATMENT OF CANCER INNATE TUMOR IMMUNITY INC (US) 2024-06-12 EP claimed
US-20240139189-A1 N6-ADENOSINE-METHYLTRANSFERASE INHIBITORS IN CANCER TREATMENT UNIVERSITY OF ZURICH (CH) 2024-05-02 US claimed
EP-4341263-A1 N6-ADENOSINE-METHYLTRANSFERASE INHIBITORS IN CANCER TREATMENT Universität Zürich (CH) 2024-03-27 EP claimed
CN-116515545-B Lubricating grease and preparation method and application thereof 亚培烯科技(上海)有限公司 2024-01-30 CN claimed
CN-116948733-B Refrigerator oil composition for hydrocarbon refrigerant and method for producing the same 山东源根石油化工有限公司 2024-01-12 CN claimed
WO-2023222762-A1 N6-ADENOSINE-METHYLTRANSFERASE PROTACS AND METHODS OF USE THEREOF UNIVERSITY OF ZURICH (CH) 2023-11-23 WO claimed
CN-116948733-A Refrigerator oil composition for hydrocarbon refrigerant and method for producing the same 山东源根石油化工有限公司 2023-10-27 CN claimed
US-11773075-B2 Modulators of p97 AAA ATPase activity University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2023-10-03 US claimed
CN-114471720-B Organometallic catalysts and their use 中国石油化工股份有限公司 2023-08-29 CN claimed
US-6172261-B1 BIOSYNTHESIS USING CHAIN EXTENSION ORIDIGM CORPORATION 2001-01-09 US claimed
EP-1001927-A2 NOVEL POLYAMINE ANALOGUES AS THERAPEUTIC AND DIAGNOSTIC AGENTS ORIDIGM CORPORATION (US) 2000-05-24 EP claimed
WO-1999003823-A2 NOVEL POLYAMINE ANALOGUES AS THERAPEUTIC AND DIAGNOSTIC AGENTS ORIDIGM CORPORATION (US) 1999-01-28 WO claimed
CN-1188589-A Organic-metal composite coating for copper surface protection IBM (US) 1998-07-22 CN claimed
WO-1997039610-A1 ORGANIC-METALLIC COMPOSITE COATING FOR COPPER SURFACE PROTECTION INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1997-10-23 WO claimed
CN-1142497-A Naphthalene derivatives, process for preparation thereof, and intermediates therefor TANABE SEIYAKU CO (JP) 1997-02-12 CN claimed
US-5442059-A Antibiotics for mammalian and veterninary diseases AMERICAN CYANAMID COMPANY (US) 1995-08-15 US claimed
US-5226976-A Corrosion Resistance, Triazoles, Hydroxyalkylamino-substituted Vinylphenol Polymer HENKEL CORPORATION (US) 1993-07-13 US claimed
EP-0337198-A2 Allyl-triazoles and fungicides containing them BASF Aktiengesellschaft (DE) 1989-10-18 EP claimed
EP-0016323-B1 1-ALLYLTRIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PLANT PROTECTING AGENTS BAYER AG (DE) 1982-09-29 EP claimed