⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7249630 | 0.88 | NPC1 (0.30) | — | |
| SCHEMBL7465555 | 0.80 | MC3R (0.31) | — | |
| SCHEMBL7104014 | 0.80 | OPRM1 (0.37) | — | |
| SCHEMBL7252651 | 0.80 | NPSR1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL7156752 | 0.80 | MC3R (0.31) | — | |
| SCHEMBL7247787 | 0.79 | F2 (0.35) | — | |
| Hydrochloric Acid SCHEMBL7158175 | 0.78 | F2 (0.36) | — | |
| SCHEMBL7249203 | 0.76 | MC3R (0.33) | — | |
| Hydrochloric Acid SCHEMBL7160547 | 0.76 | MC3R (0.33) | — | |
| SCHEMBL7104093 | 0.76 | NPSR1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20010018423-A1 | Anticoagulant agents | KLIMKOWSKI VALENTINE J (US) | 2001-08-30 | — | — | US | claimed |
| US-6200967-B1 | USED AS THROMBIN INHIBITORS, COAGULATION INHIBITORS AND AGENTS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS | ELI LILLY AND COMPANY | 2001-03-13 | — | — | US | claimed |
| WO-1997049404-A1 | ANTICOAGULANT AGENTS | ELI LILLY AND COMPANY (US) | 1997-12-31 | — | — | WO | claimed |