⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1184526 | 0.84 | — | — | |
| SCHEMBL11390992 | 0.83 | — | — | |
| SCHEMBL7493840 | 0.79 | — | — | |
| SCHEMBL10159622 | 0.78 | TSHR (0.34) | — | |
| SCHEMBL7143344 | 0.77 | TDP1 (0.31) | — | |
| SCHEMBL10692533 | 0.76 | — | — | |
| SCHEMBL4450434 | 0.75 | KCNH2 (0.32) | — | |
| SCHEMBL6207667 | 0.74 | — | — | |
| SCHEMBL6900157 | 0.74 | — | — | |
| SCHEMBL7143249 | 0.70 | LMNA (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0863755-A4 | ANTITHROMBOTIC DIAMINES | LILLY CO ELI (US) | 1999-01-20 | — | — | EP | disclosed |
| EP-0863755-A1 | ANTITHROMBOTIC DIAMINES | ELI LILLY AND COMPANY (US) | 1998-09-16 | — | — | EP | disclosed |
| WO-1997025033-A1 | ANTITHROMBOTIC DIAMINES | ELI LILLY AND COMPANY (US) | 1997-07-17 | — | — | WO | disclosed |