⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6275888 | 0.56 | — | — | |
| SCHEMBL4861859 | 0.54 | — | — | |
| SCHEMBL10519825 | 0.54 | — | — | |
| SCHEMBL1317980 | 0.46 | — | — | |
| SCHEMBL15641755 | 0.46 | — | — | |
| SCHEMBL2362493 | 0.42 | KDM4E (0.41) | — | |
| SCHEMBL1300603 | 0.42 | — | — | |
| Water SCHEMBL28568573 | 0.39 | PTK2 (0.89) | — | |
| Water SCHEMBL6686404 | 0.39 | CASP1 (0.47) | — | |
| Water SCHEMBL28625346 | 0.39 | MEN1 (0.89) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101784552-A | Derivatives of 6-cycloamino-3- (pyridazin-4-yl) imidazo [1,2-b ] pyridazine, preparation thereof and therapeutic use thereof | SANOFI AVENTIS | 2010-07-21 | — | — | CN | disclosed |
| US-5616579-A | ADMINISTERING TO MAMMALS TO PREVENT GASTRIC ULCER | SANKYO COMPANY, LIMITED (JP) | 1997-04-01 | — | — | US | disclosed |
| CN-1081437-A | Antiulcer pyridine oxygen derivative, their preparation method and purposes | SANKYO CO (JP) | 1994-02-02 | — | — | CN | disclosed |
| EP-0562833-A1 | Anti-ulcer pyridyloxy derivatives, their preparation and uses | SANKYO COMPANY LIMITED (JP) | 1993-09-29 | — | — | EP | disclosed |
| EP-0525768-A1 | Tetralones with pharmacological activity | J. URIACH & CIA. S.A. (ES) | 1993-02-03 | — | — | EP | disclosed |
| US-5132307-A | TETRALIN COMPOUNDS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-07-21 | — | — | US | disclosed |
| EP-0368160-A1 | Tetralin derivatives | MERCK PATENT GmbH (DE) | 1990-05-16 | — | — | EP | disclosed |
| EP-0363883-A1 | Chroman derivatives | MERCK PATENT GmbH (DE) | 1990-04-18 | — | — | EP | disclosed |