⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3503450 | 0.75 | — | — | |
| SCHEMBL9195982 | 0.75 | — | — | |
| SCHEMBL562455 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL4137029 | 0.73 | KDM4E (0.33) | — | |
| SCHEMBL10951689 | 0.73 | — | — | |
| SCHEMBL11002111 | 0.72 | — | — | |
| SCHEMBL259584 | 0.71 | — | — | |
| SCHEMBL5962093 | 0.71 | SMPD1 (0.32) | — | |
| SCHEMBL29210021 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL116271 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0699209-A1 | PROCESSES AND INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION OF PLATELET GLYCOPROTEIN IIb/IIIa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-03-06 | — | — | EP | disclosed |
| WO-1994022494-A1 | RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-10-13 | — | — | WO | disclosed |