⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3683481 | 1.00 | — | — | |
| SCHEMBL4302373 | 1.00 | — | — | |
| SCHEMBL17062954 | 1.00 | ALDH1A1 (0.50) | — | |
| SCHEMBL6473740 | 1.00 | — | — | |
| SCHEMBL17062956 | 1.00 | ALDH1A1 (0.50) | — | |
| SCHEMBL6474272 | 1.00 | — | — | |
| SCHEMBL351755 | 0.89 | ALDH1A1 (0.56) | — | |
| SCHEMBL1398625 | 0.89 | PPARA (0.48) | — | |
| SCHEMBL351756 | 0.89 | ALDH1A1 (0.56) | — | |
| SCHEMBL23143217 | 0.86 | ALDH1A1 (0.48) | — |
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-108473528-A | High intensity sweetner | 赛诺米克斯公司 | 2018-08-31 | — | — | CN | disclosed |
| CN-108473484-A | Compounds useful as TRPM8 modulators | 赛诺米克斯公司 | 2018-08-31 | — | — | CN | disclosed |
| WO-1998024315-A1 | PLANT VOLATILE ELICITOR FROM INSECTS | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) | 1998-06-11 | — | — | WO | disclosed |