⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9152960 | 0.86 | TRPV4 (0.32) | — | |
| SCHEMBL5154882 | 0.83 | TRPV4 (0.33) | — | |
| SCHEMBL8895828 | 0.78 | TRPV4 (0.36) | — | |
| SCHEMBL28966751 | 0.78 | TRPV4 (0.31) | — | |
| SCHEMBL30165352 | 0.78 | TRPV4 (0.31) | — | |
| SCHEMBL5333617 | 0.78 | TRPV4 (0.33) | — | |
| SCHEMBL9224728 | 0.78 | TRPV4 (0.33) | — | |
| SCHEMBL20740903 | 0.78 | TRPV4 (0.33) | — | |
| SCHEMBL20596085 | 0.78 | TRPV4 (0.33) | — | |
| SCHEMBL3474652 | 0.78 | TRPV4 (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103342705-A | Method for synthesizing pyrrole [1,2-a ] quinoxaline derivative | NANJING UNIVERSITY OF TECHNOLOGY | 2013-10-09 | — | — | CN | disclosed |