⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23720419 | 0.85 | — | — | |
| SCHEMBL20625200 | 0.76 | TSHR (0.31) | — | |
| SCHEMBL21479280 | 0.75 | — | — | |
| SCHEMBL25988572 | 0.73 | — | — | |
| SCHEMBL14996469 | 0.69 | TDP1 (0.37) | — | |
| SCHEMBL23665511 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL23995563 | 0.69 | — | — | |
| SCHEMBL19827918 | 0.69 | — | — | |
| SCHEMBL9750771 | 0.67 | — | — | |
| SCHEMBL13647919 | 0.67 | — | — |
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-2018027202-A1 | WARMING SENSATION COMPOUNDS | TAKASAGO INTERNATIONAL CORPORATION (USA) (US) | 2018-02-08 | — | — | WO | disclosed |