⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6319606 | 0.81 | — | — | |
| SCHEMBL6264765 | 0.71 | — | — | |
| SCHEMBL6319582 | 0.69 | LMNA (0.31) | — | |
| SCHEMBL6270246 | 0.68 | — | — | |
| SCHEMBL6319816 | 0.67 | PDE5A (0.32) | — | |
| SCHEMBL6318624 | 0.67 | LMNA (0.30) | — | |
| SCHEMBL6321015 | 0.65 | CYP1A2 (0.34) | — | |
| SCHEMBL6270240 | 0.62 | — | — | |
| SCHEMBL22759714 | 0.58 | SLC6A2 (0.49) | — | |
| SCHEMBL1594960 | 0.57 | ESR1 (0.48) | — |
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-1601674-A2 | HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO 4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-12-07 | — | — | EP | disclosed |
| WO-2004022558-A2 | HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2004-03-18 | — | — | WO | disclosed |