⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL542223 | 0.94 | — | — | |
| SCHEMBL17288069 | 0.91 | TSHR (0.35) | — | |
| SCHEMBL28559167 | 0.91 | TSHR (0.35) | — | |
| SCHEMBL2689810 | 0.91 | TSHR (0.35) | — | |
| SCHEMBL11610210 | 0.91 | TSHR (0.35) | — | |
| SCHEMBL989298 | 0.91 | TSHR (0.35) | — | |
| SCHEMBL1793505 | 0.87 | — | — | |
| SCHEMBL4442506 | 0.79 | — | — | |
| SCHEMBL4449618 | 0.78 | PKM (0.37) | — | |
| SCHEMBL17311009 | 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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12240862-B2 | Inhibitors of peptidylarginine deiminases | GILEAD SCIENCES, INC. (US) | 2025-03-04 | — | — | US | disclosed |
| US-11685742-B2 | Anti-tumor compound and preparation method and use thereof | DUALITY BIOLOGICS (SUZHOU) CO., LTD. (CN) | 2023-06-27 | — | — | US | disclosed |
| US-11685742-B2 | Anti-tumor compound and preparation method and use thereof | DUALITY BIOLOGICS (SUZHOU) CO., LTD. (CN) | 2023-06-27 | — | — | US | disclosed |
| CN-115715292-A | 1H-pyrazolo [4,3-g ] isoquinoline and 1H-pyrazolo [4,3-g ] quinoline derivatives as alpha-1-antitrypsin modulators for the treatment of alpha-1-antitrypsin deficiency (AATD) | 弗特克斯药品有限公司 | 2023-02-24 | — | — | CN | disclosed |
| WO-2022216655-A1 | N-(6-((OCTAHYDROCYCLOPENTA[C]PYRROL-5-YI)AMINO)PYRIDAZIN-3-YL)PHENYL)CARBOXAMIDE AND (6- ((OCTAHYDROCYCLOPENTA[C]PYRROL-5-YL)AMINO)PYRIDAZIN-3-YL)BENZAMIDE DERIVATIVES AS MACHR M4 ANTAGONISTS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS | VANDERBILT UNIVERSITY (US) | 2022-10-13 | — | — | WO | disclosed |
| US-11267818-B2 | Method of treatment using substituted pyrazolo[1,5-a] pyrimidine compounds | ARRAY BIOPHARMA INC. (US) | 2022-03-08 | — | — | US | disclosed |
| WO-2020115190-A1 | NOVEL ANTIBACTERIAL 3\"-DERIVATIVES OF 4,6-DISUBSTITUTED 2,5-DIDEOXYSTREPTAMINE AMINOGLYCOSIDE ANTIBIOTICS | AGILEBIOTICS B.V. (NL) | 2020-06-11 | — | — | WO | disclosed |
| EP-2802326-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-04-18 | — | — | EP | disclosed |
| US-7671080-B2 | 1-benzylindole-2-carboxamide derivatives | N.V. ORGANON (NL) | 2010-03-02 | — | — | US | disclosed |
| US-20080280923-A1 | 1-Benzylindole-2-Carboxamide Derivatives | N.V. ORGANON (NL) | 2008-11-13 | — | — | US | disclosed |
| EP-1940788-A1 | 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES | N.V. Organon (NL) | 2008-07-09 | — | — | EP | disclosed |
| WO-2006100208-A9 | 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES | ORGANON NV (NL) | 2007-11-22 | — | — | WO | disclosed |
| WO-2006100208-A1 | 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES | N.V. ORGANON (NL) | 2006-09-28 | — | — | WO | disclosed |