⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL487775 | 0.82 | MEN1 (0.34) | — | |
| SCHEMBL11129394 | 0.77 | — | — | |
| SCHEMBL2045378 | 0.76 | MEN1 (0.41) | — | |
| SCHEMBL6550392 | 0.74 | ALDH1A1 (0.47) | — | |
| SCHEMBL6549892 | 0.74 | ALDH1A1 (0.47) | — | |
| SCHEMBL4373923 | 0.74 | ALDH1A1 (0.47) | — | |
| SCHEMBL11759426 | 0.72 | MEN1 (0.47) | — | |
| SCHEMBL28044234 | 0.71 | — | — | |
| SCHEMBL17210474 | 0.71 | MEN1 (0.34) | — | |
| SCHEMBL11562662 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2904080-B1 | FLAVOR AND FRAGRANCE FORMULATION (I) | DSM IP ASSETS BV (NL) | 2018-12-12 | — | — | EP | claimed |
| US-20150307439-A1 | FLAVOR AND FRAGRANCE FORMULATION (I) | DSM IP ASSETS B.V. (NL) | 2015-10-29 | — | — | US | disclosed |