⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10893693 | 0.80 | CES1 (0.47) | — | |
| SCHEMBL10454311 | 0.80 | CES1 (0.47) | — | |
| SCHEMBL28858493 | 0.79 | CES1 (0.41) | — | |
| SCHEMBL28858496 | 0.79 | CES1 (0.41) | — | |
| SCHEMBL28858491 | 0.77 | TSHR (0.46) | — | |
| SCHEMBL28858535 | 0.77 | TSHR (0.46) | — | |
| SCHEMBL28858488 | 0.77 | TSHR (0.46) | — | |
| SCHEMBL28858448 | 0.77 | TSHR (0.46) | — | |
| SCHEMBL31264146 | 0.75 | CES1 (0.43) | — | |
| SCHEMBL9579634 | 0.75 | CES1 (0.43) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0073566-A1 | Methods and compositions for combating soil pests | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1983-03-09 | — | — | EP | claimed |
| EP-3131897-B1 | FACTOR IXA INHIBITORS | MERCK SHARP & DOHME (US) | 2022-06-15 | — | — | EP | disclosed |
| EP-3131896-B1 | FACTOR IXA INHIBITORS | MERCK SHARP & DOHME (US) | 2019-01-30 | — | — | EP | disclosed |
| US-9969724-B2 | Factor IXa inhibitors | MERCK SHARP & DOHME CORP. (US) | 2018-05-15 | — | — | US | disclosed |
| US-9808445-B2 | Factor IXa inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-11-07 | — | — | US | disclosed |
| US-20170129880-A1 | FACTOR IXa INHIBITORS | MERCK SHARP & DOHME LLC | 2017-05-11 | — | — | US | disclosed |
| EP-3131897-A1 | FACTOR IXA INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2017-02-22 | — | — | EP | disclosed |
| EP-3131896-A1 | FACTOR IXA INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2017-02-22 | — | — | EP | disclosed |
| US-20170027916-A1 | FACTOR IXa INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-02-02 | — | — | US | disclosed |
| WO-2015160634-A1 | FACTOR IXA INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-10-22 | — | — | WO | disclosed |
| WO-2015160636-A1 | FACTOR IXA INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-10-22 | — | — | WO | disclosed |