⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9506330 | 1.00 | — | — | |
| SCHEMBL29633252 | 0.72 | CA1 (0.32) | — | |
| SCHEMBL29633172 | 0.72 | CA1 (0.32) | — | |
| SCHEMBL31673503 | 0.72 | CA1 (0.32) | — | |
| SCHEMBL9238452 | 0.72 | CA1 (0.32) | — | |
| SCHEMBL721372 | 0.72 | CA1 (0.32) | — | |
| SCHEMBL17627695 | 0.72 | CA1 (0.32) | — | |
| SCHEMBL19922315 | 0.72 | CA1 (0.32) | — | |
| SCHEMBL9640383 | 0.71 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL9640386 | 0.71 | SMN1; SMN2 (0.40) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5106870-A | Antiinflammatory agents, antianaphylactic agents | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1992-04-21 | — | — | US | disclosed |
| US-4992581-A | From perhydroketo-4,7-methanoindene | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1991-02-12 | — | — | US | disclosed |
| US-4973604-A | Thromboxane A2 antagonists and pharmaceutical compositions thereof | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1990-11-27 | — | — | US | disclosed |
| US-4942256-A | 7-(3-ALPHA-(1-(((PHENYLAMINO)-THIOXOMETHYL)HYDRAZINO)ETHYL)-BI CYCLO(2.2.1)HEPTENOIC ACIDS | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1990-07-17 | — | — | US | disclosed |
| WO-1990006917-A1 | NOVEL THROMBOXANE A2 ANTAGONISTS | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1990-06-28 | — | — | WO | disclosed |
| EP-0373915-A1 | Novel thromboxane A2 antagonists | BTG INTERNATIONAL LIMITED (GB) | 1990-06-20 | — | — | EP | disclosed |