⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10430468 | 0.94 | LDHA (0.31) | — | |
| SCHEMBL27338320 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL3929483 | 0.75 | CYP2D6 (0.35) | — | |
| SCHEMBL3258249 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL583100 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL583103 | 0.69 | TET2 (0.31) | — | |
| SCHEMBL5862450 | 0.69 | LMNA (0.32) | — | |
| SCHEMBL28934980 | 0.68 | LDHA (0.53) | — | |
| SCHEMBL537917 | 0.68 | — | — | |
| SCHEMBL8740170 | 0.67 | HCAR2 (0.35) | — |
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-0799052-A1 | NEW ANTITHROMBOTIC FORMULATION, PROCESS FOR ITS MANUFACTURING, AND USE THEREOF | Astra Aktiebolag (SE) | 1997-10-08 | — | — | EP | disclosed |
| WO-1996016671-A1 | NEW ANTITHROMBOTIC FORMULATION, PROCESS FOR ITS MANUFACTURING, AND USE THEREOF | ASTRA AKTIEBOLAG (SE) | 1996-06-06 | — | — | WO | disclosed |