⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12485154 | 0.67 | — | — | |
| SCHEMBL16259514 | 0.66 | NOTUM (0.32) | — | |
| SCHEMBL15001323 | 0.66 | ALDH1A1 (0.47) | — | |
| SCHEMBL3590995 | 0.66 | CES1 (0.38) | — | |
| SCHEMBL9926026 | 0.63 | FPR2 (0.32) | — | |
| Bromide SCHEMBL30577076 | 0.54 | — | — | |
| SCHEMBL12641736 | 0.52 | — | — | |
| SCHEMBL444623 | 0.49 | — | — | |
| SCHEMBL13623239 | 0.46 | — | — | |
| SCHEMBL15828 | 0.40 | HRH3 (0.79) | — |
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-0956294-A1 | THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1999-11-17 | — | — | EP | disclosed |
| WO-1998006741-A1 | THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1998-02-19 | — | — | WO | disclosed |