⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19922317 | 1.00 | — | — | |
| SCHEMBL13480417 | 1.00 | — | — | |
| SCHEMBL757138 | 1.00 | — | — | |
| SCHEMBL4581630 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL31502595 | 0.66 | CYP19A1 (0.31) | — | |
| SCHEMBL31502603 | 0.66 | CYP19A1 (0.31) | — | |
| SCHEMBL31502584 | 0.66 | CYP19A1 (0.31) | — | |
| SCHEMBL13155977 | 0.65 | — | — | |
| SCHEMBL7782052 | 0.61 | TRPA1 (0.33) | — | |
| SCHEMBL12858683 | 0.60 | PTPN1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3310893-B2 | IMPROVEMENTS IN OR RELATING TO ENCAPSULATED PERFUME COMPOSITIONS | GIVAUDAN SA (CH) | 2024-02-28 | — | — | EP | disclosed |
| US-20200360243-A1 | IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS | GIVAUDAN S.A. (CH) | 2020-11-19 | — | — | US | disclosed |
| EP-3310893-B1 | IMPROVEMENTS IN OR RELATING TO ENCAPSULATED PERFUME COMPOSITIONS | GIVAUDAN SA (CH) | 2020-08-05 | — | — | EP | disclosed |