⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18746556 | 1.00 | — | — | |
| SCHEMBL320260 | 0.77 | — | — | |
| SCHEMBL320259 | 0.77 | — | — | |
| SCHEMBL19698346 | 0.76 | — | — | |
| SCHEMBL14104677 | 0.75 | CES1 (0.34) | — | |
| SCHEMBL9718158 | 0.74 | — | — | |
| SCHEMBL14197048 | 0.74 | — | — | |
| SCHEMBL9718159 | 0.74 | — | — | |
| SCHEMBL23691597 | 0.72 | — | — | |
| SCHEMBL19265047 | 0.72 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023225041-A1 | RIPK1 INHIBITORS AND METHODS OF USE | MERCK SHARP & DOHME LLC (US) | 2023-11-23 | — | — | WO | disclosed |
| WO-2023134698-A1 | PYRIDAZINE-1(6H)-6-OXO COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 深圳信立泰药业股份有限公司 | 2023-07-20 | — | — | WO | disclosed |
| US-10759756-B2 | Antagonists of human integrin α4β7 | MORPHIC THERAPEUTIC, INC. (US) | 2020-09-01 | — | — | US | disclosed |
| EP-3512837-B1 | PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 | BOEHRINGER INGELHEIM INT (DE) | 2020-07-22 | — | — | EP | disclosed |
| WO-2019214399-A1 | BENZO- SEVEN-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF | 罗欣药业(上海)有限公司 (CN) | 2019-11-14 | — | — | WO | disclosed |
| US-20190315692-A1 | ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) | MORPHIC THERAPEUTIC, INC. | 2019-10-17 | — | — | US | disclosed |
| WO-2018052773-A1 | PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2018-03-22 | — | — | WO | disclosed |