⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31516382 | 0.61 | — | — | |
| SCHEMBL28305401 | 0.58 | — | — | |
| SCHEMBL28567641 | 0.56 | — | — | |
| SCHEMBL2466240 | 0.55 | — | — | |
| SCHEMBL19760059 | 0.46 | CRBN (0.38) | — | |
| SCHEMBL279754 | 0.46 | — | — | |
| SCHEMBL23497399 | 0.45 | — | — | |
| SCHEMBL8005685 | 0.45 | — | — | |
| Hydrochloric Acid SCHEMBL10577443 | 0.44 | PDE4A (0.36) | — | |
| SCHEMBL3500581 | 0.43 | ALDH1A1 (0.37) | — |
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-20230091047-A1 | FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES | JANSSEN PHARMACEUTICA NV (BE) | 2023-03-23 | — | — | US | disclosed |
| EP-2124913-A1 | 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS | Novartis AG (CH) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008077597-A1 | 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS | NOVARTIS AG (CH) | 2008-07-03 | — | — | WO | disclosed |