⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL161508 | 0.78 | — | — | |
| SCHEMBL39924 | 0.78 | — | — | |
| SCHEMBL31051471 | 0.78 | — | — | |
| SCHEMBL28153591 | 0.76 | MEN1 (0.40) | — | |
| SCHEMBL30849517 | 0.76 | — | — | |
| SCHEMBL29031089 | 0.73 | UHRF1 (0.39) | — | |
| SCHEMBL31220021 | 0.72 | CYP1A2 (0.52) | — | |
| SCHEMBL22148217 | 0.71 | MAP4K4 (0.47) | — | |
| SCHEMBL3422367 | 0.71 | AAK1 (0.40) | — | |
| Methylene Chloride SCHEMBL27947432 | 0.71 | MEN1 (0.38) | — |
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 966 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4312549-A1 | PHOSPHORUS USE EFFICIENCY ENHANCERS AS PLANT GROWTH PROMOTORS | EuroChem Antwerpen (BE) | 2024-02-07 | — | — | EP | claimed |
| US-20240018143-A1 | PROCESS FOR THE PREPARATION OF (9S)-N-[3-(6-METHYLPYRIMIDIN-4-YL)-3-AZABICYCLO[3.2.1]OCTAN-8-YL]-9-(2,3,4-TRIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[1,5-A]AZEPIN-2-AMINE AND ITS SOLID FORM | HOFFMANN-LA ROCHE INC. (US) | 2024-01-18 | — | — | US | claimed |
| EP-4259630-A1 | PROCESS FOR THE PREPARATION OF (9S)-N-[3-(6-METHYLPYRIMIDIN-4-YL)-3-AZABICYCLO[3.2.1]OCTAN-8-YL]-9-(2,3,4-TRIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[1,5-A]AZEPIN-2-AMINE AND ITS SOLID FORM | F. Hoffmann-La Roche AG (CH) | 2023-10-18 | — | — | EP | claimed |
| CN-116685589-A | Process for the preparation of (9S) -N- [3- (6-methylpyrimidin-4-yl) -3-azabicyclo [3.2.1] oct-8-yl ] -9- (2, 3, 4-trifluorophenyl) -6,7,8, 9-tetrahydro-5H- [1,2,4] triazolo [1,5-a ] azepin-2-amine and solid forms thereof | 豪夫迈·罗氏有限公司 | 2023-09-01 | — | — | CN | claimed |
| EP-4211097-A2 | N-HETEROCYCLIC COMPOUNDS USED AS NITRIFICATION INHIBITOR | EuroChem Antwerpen (BE) | 2023-07-19 | — | — | EP | claimed |
| WO-2022207600-A1 | PHOSPHORUS USE EFFICIENCY ENHANCERS AS PLANT GROWTH PROMOTORS | EUROCHEM ANTWERPEN (BE) | 2022-10-06 | — | — | WO | claimed |
| WO-2022122864-A1 | PROCESS FOR THE PREPARATION OF (9S)-N-[3-(6-METHYLPYRIMIDIN-4-YL)-3-AZABICYCLO[3.2.1]OCTAN-8-YL]-9-(2,3,4-TRIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[1,5-A]AZEPIN-2-AMINE AND ITS SOLID FORM | F. HOFFMANN-LA ROCHE AG (CH) | 2022-06-16 | — | — | WO | claimed |
| EP-3972949-A1 | SOLUTION, AEROSOL FOR USE AS A FERTILIZER ADDITIVE, USE OF AN AQUEOUS SOLUTION AND/OR OF AN AEROSOL AS AN ADDITIVE TO A FERTILIZER AND A RELATED COMPOSITION | Deltachem GmbH (DE) | 2022-03-30 | — | — | EP | claimed |
| WO-2022053660-A2 | N-HETEROCYCLIC COMPOUNDS USED AS NITRIFICATION INHIBITOR | EUROCHEM ANTWERPEN (BE) | 2022-03-17 | — | — | WO | claimed |
| CN-102127067-B | 2-(6-aminobenzothiazole-2-mercapto)-acetamide derivatives and preparation method and applications thereof | UNIV SICHUAN | 2013-04-10 | — | — | CN | claimed |
| CN-102127067-A | 2-(6-aminobenzothiazole-2-mercapto)-acetamide derivatives and preparation method and applications thereof | UNIV SICHUAN | 2011-07-20 | — | — | CN | claimed |
| US-12606541-B2 | PPARg modulators and methods of use | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2026-04-21 | — | — | US | disclosed |
| US-12570634-B2 | Small molecule inhibitors of ubiquitin specific protease 1 (USP1) and uses thereof | INSILICO MEDICINE IP LIMITED (HK) | 2026-03-10 | — | — | US | disclosed |
| US-20260028365-A1 | TYROSINE KINASE 2 INHIBITORS AND USES THEREOF | BIOGEN MA INC (US) | 2026-01-29 | — | — | US | disclosed |
| US-12454547-B2 | Steroidal compositions and methods of treating lipogenic cancers | Asteroid Therapeutics (US) | 2025-10-28 | — | — | US | disclosed |
| CN-1143361-A | Phenylacetic acid derivatives, their preparation and intermediates, and compositions containing them | BASF AG (DE) | 1997-02-19 | — | — | CN | disclosed |
| EP-0355385-A1 | Substituted 4-sulphonylamino-2-azinyl-1,2,4-triazol-3-ones, process and intermediates for their preparation and their use as herbicides | BAYER AG (DE) | 1990-02-28 | — | — | EP | disclosed |
| US-4855420-A | Cephalosporin derivatives | ICI PHARMA (FR) | 1989-08-08 | — | — | US | disclosed |
| US-4678781-A | BACTERICIDAL ANTIBIOTICS | ICI PHARMA (FR) | 1987-07-07 | — | — | US | disclosed |
| US-4584295-A | Pyrimidylmethyl thiophosphorus esters useful for the control of insects, mites and nematodes | HOFFMANN-LA ROCHE INC. (US) | 1986-04-22 | — | — | US | disclosed |