⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8087667 | 0.81 | ALDH1A1 (0.35) | — | |
| SCHEMBL6822701 | 0.73 | MAPK1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL6825781 | 0.71 | MAPK1 (0.31) | — | |
| SCHEMBL6826099 | 0.67 | ADORA2A (0.43) | — | |
| SCHEMBL8086287 | 0.64 | PKM (0.34) | — | |
| SCHEMBL21630712 | 0.60 | — | — | |
| SCHEMBL9852781 | 0.59 | KMT2A (0.33) | — | |
| SCHEMBL31759486 | 0.58 | MAPK1 (0.32) | — | |
| SCHEMBL6628690 | 0.58 | KMT2A (0.51) | — | |
| SCHEMBL8528216 | 0.56 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1051431-A1 | THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2000-11-15 | — | — | EP | disclosed |
| WO-1999037668-A1 | THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1999-07-29 | — | — | WO | disclosed |