⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14700313 | 0.81 | — | — | |
| SCHEMBL1550553 | 0.81 | — | — | |
| Bromide SCHEMBL9846831 | 0.78 | — | — | |
| SCHEMBL9180635 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL28681650 | 0.75 | TSHR (0.32) | — | |
| Isopropylamine SCHEMBL28786876 | 0.74 | — | — | |
| SCHEMBL28643404 | 0.73 | TSHR (0.30) | — | |
| SCHEMBL3108870 | 0.71 | — | — | |
| SCHEMBL4311313 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL9121703 | 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 |
|---|---|---|---|---|---|---|---|
| US-7671142-B2 | Thermoplastic resin having rigidity when heated | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2010-03-02 | — | — | US | disclosed |
| US-20070142571-A1 | Thermoplastic resin composition | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2007-06-21 | — | — | US | disclosed |