⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19990360 | 0.89 | NQO2 (0.32) | — | |
| SCHEMBL27630919 | 0.84 | — | — | |
| SCHEMBL28112699 | 0.78 | CYP1A2 (0.31) | — | |
| SCHEMBL28500269 | 0.73 | — | — | |
| SCHEMBL27502031 | 0.70 | MAOA (0.37) | — | |
| SCHEMBL7077054 | 0.68 | — | — | |
| SCHEMBL1134711 | 0.65 | CYP3A4 (0.41) | — | |
| SCHEMBL28816658 | 0.64 | — | — | |
| SCHEMBL28816505 | 0.64 | LMNA (0.37) | — | |
| SCHEMBL30336851 | 0.61 | TSHR (0.53) | — |
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-106068291-B | Olefin-based resin, its manufacturing method and propylene resin composition | 三井化学株式会社 | 2019-03-12 | — | — | CN | disclosed |
| CN-109196039-A | Composition for thermoplastic elastomer, its manufacturing method and formed body | 三井化学株式会社 | 2019-01-11 | — | — | CN | disclosed |
| CN-106068291-A | Olefin-based resin, its manufacture method and propylene resin composition | 三井化学株式会社 | 2016-11-02 | — | — | CN | disclosed |