⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23335456 | 0.79 | — | — | |
| Cyanide SCHEMBL30329976 | 0.69 | MEN1 (0.35) | — | |
| SCHEMBL29640103 | 0.67 | — | — | |
| SCHEMBL27152565 | 0.67 | PIK3CD (0.46) | — | |
| SCHEMBL5519076 | 0.66 | — | — | |
| SCHEMBL2530269 | 0.64 | ALDH1A1 (0.40) | — | |
| SCHEMBL15062197 | 0.64 | ALDH1A1 (0.40) | — | |
| SCHEMBL13649507 | 0.64 | ALDH1A1 (0.40) | — | |
| SCHEMBL1219974 | 0.64 | BRD4 (0.37) | — | |
| SCHEMBL23265523 | 0.63 | LMNA (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104159977-B | Thermoplastic resin composition | 日本乳化剂株式会社 | 2017-09-12 | — | — | CN | disclosed |
| CN-104159977-A | Thermoplastic resin composition | NIPPON NYUKAZAI CO LTD | 2014-11-19 | — | — | CN | disclosed |