⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11876929 | 0.48 | — | — | |
| SCHEMBL11774960 | 0.46 | ALOX15 (0.45) | — | |
| SCHEMBL8369363 | 0.45 | THRB (0.32) | — | |
| Hydroxyamine SCHEMBL8577072 | 0.42 | LMNA (0.47) | — | |
| Hydroquinone SCHEMBL6012111 | 0.42 | CA12 (0.80) | — | |
| SCHEMBL19373005 | 0.42 | THRB (0.30) | — | |
| SCHEMBL11440009 | 0.42 | THRB (0.30) | — | |
| SCHEMBL6718539 | 0.40 | — | — | |
| SCHEMBL31490392 | 0.40 | — | — | |
| SCHEMBL8465809 | 0.38 | CASP1 (0.50) | — |
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-1100795-A1 | DISUBSTITUTED BICYCLIC HETEROCYCLES HAVING, IN PARTICULAR, A THROMBIN INHIBITIVE EFFECT | BOEHRINGER INGELHEIM ZENTRALE GMBH (DE) | 2001-05-23 | — | — | EP | disclosed |
| WO-2000008014-A1 | DISUBSTITUTED BICYCLIC HETEROCYCLES HAVING, IN PARTICULAR, A THROMBIN INHIBITIVE EFFECT | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-02-17 | — | — | WO | disclosed |