⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12122389 | 0.92 | — | — | |
| SCHEMBL13273686 | 0.87 | — | — | |
| SCHEMBL24981891 | 0.87 | — | — | |
| SCHEMBL18965740 | 0.81 | — | — | |
| SCHEMBL12122499 | 0.81 | — | — | |
| SCHEMBL23430056 | 0.80 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL25622690 | 0.78 | — | — | |
| SCHEMBL21608748 | 0.78 | — | — | |
| SCHEMBL14479481 | 0.77 | — | — | |
| SCHEMBL22420426 | 0.77 | ALDH1A1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20140230871-A1 | THERMOELECTRIC CONVERSION MATERIAL AND THERMOELECTRIC CONVERSION ELEMENT | FUJIFILM CORPORATION (JP) | 2014-08-21 | — | — | US | disclosed |