⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL183456 | 0.84 | CD81 (0.33) | — | |
| SCHEMBL154216 | 0.84 | CD81 (0.33) | — | |
| SCHEMBL4051342 | 0.83 | CHRM1 (0.33) | — | |
| SCHEMBL547636 | 0.83 | KDM4E (0.32) | — | |
| SCHEMBL9577646 | 0.79 | CD81 (0.31) | — | |
| SCHEMBL4061918 | 0.79 | FFAR1 (0.41) | — | |
| SCHEMBL9577639 | 0.79 | CD81 (0.31) | — | |
| SCHEMBL1782803 | 0.77 | — | — | |
| SCHEMBL1782805 | 0.77 | — | — | |
| SCHEMBL9577644 | 0.77 | CYP2D6 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009123355-A2 | COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2009-10-08 | — | — | WO | disclosed |