⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15676 | 1.00 | — | — | |
| SCHEMBL212534 | 1.00 | — | — | |
| SCHEMBL9387476 | 0.94 | — | — | |
| SCHEMBL29278224 | 0.94 | — | — | |
| Methylamine SCHEMBL28805772 | 0.89 | ALDH1A1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL28391738 | 0.89 | — | — | |
| Trimethylammonium SCHEMBL15544741 | 0.85 | — | — | |
| Trimethylammonium SCHEMBL7521772 | 0.82 | — | — | |
| SCHEMBL270744 | 0.78 | — | — | |
| SCHEMBL20797028 | 0.78 | — | — |
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 299 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024064178-A1 | HEXAHYDRO-2H-PYRIDO[2,1-A]ISOQUINOLINE VMAT2 INHIBITORS AND METHODS OF USE | NEUROCRINE BIOSCIENCES, INC. (US) | 2024-03-28 | — | — | WO | claimed |
| EP-3743430-B1 | AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2023-08-02 | — | — | EP | claimed |
| US-11618753-B2 | Aminopyrrolotriazines as kinase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2023-04-04 | — | — | US | claimed |
| US-11608337-B2 | Heterocyclic compounds as immunomodulators | INCYTE CORPORATION (US) | 2023-03-21 | — | — | US | claimed |
| CN-110997651-B | Novel tetrazole compounds and their use in the treatment of tuberculosis | 葛兰素史密斯克莱知识产权发展有限公司 | 2023-01-03 | — | — | CN | claimed |
| EP-3452476-B1 | HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS | INCYTE CORP (US) | 2021-12-15 | — | — | EP | claimed |
| US-11072591-B2 | Tetrazole compounds and their use in the treatment of tuberculosis | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2021-07-27 | — | — | US | claimed |
| CN-108174603-B | 1-heteroaryl-indoline-4-carboxamides as GPR52 modulators | 阿芮纳制药有限公司 | 2021-07-02 | — | — | CN | claimed |
| EP-3668856-B1 | NOVEL TETRAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF TUBERCULOSIS | GLAXOSMITHKLINE IP DEV LTD (GB) | 2021-06-23 | — | — | EP | claimed |
| US-20200397893-A1 | IMMUNOMODULATOR COMPOUNDS AND METHODS OF USE | INCYTE CORPORATION | 2020-12-24 | — | — | US | claimed |
| EP-1392659-A1 | METHODS OF MAKING INDAZOLES | Alcon, Inc. (CH) | 2004-03-03 | — | — | EP | claimed |
| WO-2003040096-A2 | N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | ELAN PHARMACEUTICALS, INC. (US) | 2003-05-15 | — | — | WO | claimed |
| WO-2002098862-A1 | METHODS OF MAKING INDAZOLES | ALCON, INC. (CH) | 2002-12-12 | — | — | WO | claimed |
| CN-1336367-A | Mercaptoone and mercaptol, and prepn. process therefor | AMERICAN CYANAMID CO (US) | 2002-02-20 | — | — | CN | claimed |
| CN-1211991-A | Compounds with growth hormone releasing properties | NOVO NORDISK AS (DK) | 1999-03-24 | — | — | CN | claimed |
| CN-1178216-A | Mercaptoketones and mercaptoalcohols and process for their preparation | AMERICAN CYANAMID CO (US) | 1998-04-08 | — | — | CN | claimed |
| EP-0589446-B1 | N-(Hydroxyethyl)butanediamide derivatives as renin inhibitors | BOEHRINGER INGELHEIM CA LTD (CA) | 1997-09-03 | — | — | EP | claimed |
| WO-1994007845-A1 | N-(HYDROXYETHYL)BUTANEDIAMIDE DERIVATIVES AS RENIN INHIBITORS | BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) | 1994-04-14 | — | — | WO | claimed |
| EP-0589446-A1 | N-(Hydroxyethyl)butanediamide derivatives as renin inhibitors | BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) | 1994-03-30 | — | — | EP | claimed |
| WO-1991009151-A1 | METHOD OF METALLIZING SUBSTRATES BY CHEMICAL REDOX | AKZO N.V. (NL) | 1991-06-27 | — | — | WO | claimed |