⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15392260 | 0.79 | — | — | |
| SCHEMBL3214819 | 0.72 | — | — | |
| SCHEMBL4731479 | 0.70 | — | — | |
| SCHEMBL28103494 | 0.69 | — | — | |
| SCHEMBL12005027 | 0.67 | — | — | |
| SCHEMBL4309576 | 0.67 | LMNA (0.38) | — | |
| SCHEMBL13922436 | 0.67 | — | — | |
| SCHEMBL28133613 | 0.67 | — | — | |
| SCHEMBL5517943 | 0.67 | — | — | |
| SCHEMBL28757711 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101448835-A | 6 as TRPV1 modulators for the treatment of pain | JANSSEN PHARMACEUTICA NV (BE) | 2009-06-03 | — | — | CN | claimed |
| US-5652233-A | CARBAPENICILLINS | ZENECA LIMITED (GB) | 1997-07-29 | — | — | US | claimed |
| CN-101448835-A | 6 as TRPV1 modulators for the treatment of pain | JANSSEN PHARMACEUTICA NV (BE) | 2009-06-03 | — | — | CN | disclosed |