⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL17041904 | 0.96 | — | — | |
| SCHEMBL13166302 | 0.96 | ALDH1A1 (0.53) | — | |
| SCHEMBL1485899 | 0.96 | ALDH1A1 (0.53) | — | |
| SCHEMBL1148684 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL561323 | 0.96 | — | — | |
| SCHEMBL3036481 | 0.96 | ALDH1A1 (0.53) | — | |
| SCHEMBL8918 | 0.96 | — | — | |
| SCHEMBL13166298 | 0.96 | ALDH1A1 (0.53) | — | |
| SCHEMBL3035987 | 0.96 | ALDH1A1 (0.53) | — | |
| SCHEMBL13166304 | 0.96 | ALDH1A1 (0.53) | — |
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
Appears in 2913 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230257374-A1 | NOVEL KRAS G12C PROTEIN INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF | INNOVENT BIOLOGICS (SUZHOU) CO., LTD. (CN) | 2023-08-17 | — | — | US | claimed |
| CN-114555586-B | KRASG12C protein inhibitor and preparation method and application thereof | 信达生物制药(苏州)有限公司 | 2023-06-23 | — | — | CN | claimed |
| EP-3027555-B1 | METHOD FOR EXFOLIATING GRAPHITE ASSISTED BY A DIELS-ALDER REACTION | UNIV BORDEAUX (FR) | 2023-05-24 | — | — | EP | claimed |
| WO-2023070483-A1 | PROCESSES OF MAKING 3-FLUORO-5- ( ( (1R, 2S, 2aS) -1, 2, 3, 3, 4, 4-HEXAFLUORO-2A-HYDROXY-2, 2A, 3, 4-TETRAHYDRO-1H-CYCLOPENTA [CD] INDEN-7-YL) -OXY) -BENZONITRILE AND POLYMORPHS THEREOF | NIKANG THERAPEUTICS, INC. (US) | 2023-05-04 | — | — | WO | claimed |
| US-20230131260-A1 | SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS | SYNGENTA CROP PROTECTION AG (CH) | 2023-04-27 | — | — | US | claimed |
| WO-2023060431-A1 | PROCESSES OF MAKING 3-FLUORO-5- ( ( (1S, 2AR) -1, 3, 3, 4, 4-PENTAFLUORO-2A-HYDROXY-2, 2A, 3, 4-TETRAHYDRO-1H-CYCLOPENTA [CD] INDEN-7-YL) OXY) -BENZONITRILE AND POLYMORPHS THEREOF | NIKANG THERAPEUTICS, INC. (US) | 2023-04-20 | — | — | WO | claimed |
| WO-2023060458-A1 | PROCESSES OF MAKING 3-FLUORO-5- ( ( (1S, 2AR) -1, 3, 3, 4, 4-PENTAFLUORO-2A-HYDROXY-2, 2A, 3, 4-TETRAHYDRO-1H-CYCLOPENTA [CD] INDEN-7-YL) OXY) -BENZONITRILE AND POLYMORPHS THEREOF | NIKANG THERAPEUTICS, INC. (US) | 2023-04-20 | — | — | WO | claimed |
| CN-112209991-B | Tripeptide inhibitor of APC/Asef interaction and application thereof | 上海交通大学医学院 | 2022-08-12 | — | — | CN | claimed |
| CN-114853633-A | Preparation method of bisaminopropyl alicyclic tertiary amine | 万华化学集团股份有限公司 | 2022-08-05 | — | — | CN | claimed |
| CN-114555586-A | Novel KRASG12C protein inhibitor and preparation method and application thereof | 信达生物制药(苏州)有限公司 | 2022-05-27 | — | — | CN | claimed |
| EP-1114021-A1 | NEW SALTS OF HMG-CoA REDUCTASE INHIBITORS | Lek Pharmaceutical and Chemical Co. D.D. (SI) | 2001-07-11 | — | — | EP | claimed |
| EP-1106614-A1 | 5-Membered heteroaryl substituted 1,4-dihydropyridine compounds as bradykinin antagonists | PFIZER INC. (US) | 2001-06-13 | — | — | EP | claimed |
| WO-2000017150-A1 | NEW SALTS OF HMG-CoA REDUCTASE INHIBITORS | LEK PHARMACEUTICAL AND CHEMICAL COMPANY D.D. (DE) | 2000-03-30 | — | — | WO | claimed |
| EP-0315433-A2 | 3-amino-5-methyl-1H-pyrazole-4-carboxylic acids and esters thereof as anticonvulsants, muscle relaxants and anxiolytics | A.H. ROBINS COMPANY, INCORPORATED (US) | 1989-05-10 | — | — | EP | claimed |
| US-4550162-A | Process for the manufacture of enol derivatives | CIBA-GEIGY CORPORATION (US) | 1985-10-29 | — | — | US | claimed |
| EP-0105166-A1 | Substituted tert. butanol derivatives, method for their preparation and antimycotic agents containing them | BAYER AG (DE) | 1984-04-11 | — | — | EP | claimed |
| US-4434287-A | Cephalosporin derivatives | CIBA-GEIGY CORPORATION (US) | 1984-02-28 | — | — | US | claimed |
| US-4319027-A | Process for the manufacture of ceohem enol derivatives | CIBA-GEIGY CORPORATION (US) | 1982-03-09 | — | — | US | claimed |
| US-4293462-A | Process for the manufacture of enol derivatives, and intermediates | CIBA-GEIGY CORPORATION (US) | 1981-10-06 | — | — | US | claimed |
| US-4110533-A | PROCESS FOR THE MANUFACTURE OF ENOL DERIVATIVES | CIBA-GEIGY CORPORATION (US) | 1978-08-29 | — | — | US | claimed |