⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21357719 | 0.77 | MEN1 (0.34) | — | |
| SCHEMBL28928288 | 0.77 | MEN1 (0.38) | — | |
| SCHEMBL28987904 | 0.77 | — | — | |
| SCHEMBL5636634 | 0.76 | — | — | |
| SCHEMBL10711654 | 0.75 | — | — | |
| SCHEMBL720721 | 0.75 | — | — | |
| SCHEMBL8365993 | 0.74 | PTGS1 (0.32) | — | |
| SCHEMBL28982590 | 0.73 | NAAA (0.47) | — | |
| Ethylene Glycol SCHEMBL6300410 | 0.73 | NAAA (0.34) | — | |
| SCHEMBL722539 | 0.72 | PTGS1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108884315-A | Black daiamid composition and its preparation and use | 巴斯夫欧洲公司 | 2018-11-23 | — | — | CN | disclosed |