⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7141380 | 0.99 | — | — | |
| SCHEMBL7144306 | 0.82 | F2 (0.32) | — | |
| Hydrochloric Acid SCHEMBL7142249 | 0.81 | F2 (0.31) | — | |
| SCHEMBL7139402 | 0.76 | PTGER4 (0.36) | — | |
| SCHEMBL7143011 | 0.74 | F2 (0.35) | — | |
| Hydrochloric Acid SCHEMBL7364149 | 0.73 | F2 (0.34) | — | |
| SCHEMBL7148757 | 0.73 | CYP3A4 (0.32) | — | |
| SCHEMBL7356317 | 0.73 | F2 (0.37) | — | |
| SCHEMBL7249203 | 0.73 | MC3R (0.33) | — | |
| Hydrochloric Acid SCHEMBL7144856 | 0.73 | CYP3A4 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0672658-A1 | Antithrombotic agents | ELI LILLY AND COMPANY (US) | 1995-09-20 | — | — | EP | claimed |
| WO-1995023609-A1 | ANTITHROMBOTIC AGENTS | ELI LILLY AND COMPANY (US) | 1995-09-08 | — | — | WO | claimed |