⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6056032 | 0.81 | — | — | |
| SCHEMBL31412836 | 0.68 | — | — | |
| SCHEMBL9842750 | 0.67 | LTA4H (0.33) | — | |
| SCHEMBL15520123 | 0.64 | — | — | |
| SCHEMBL2051136 | 0.63 | ALDH1A1 (0.38) | — | |
| SCHEMBL9330385 | 0.62 | KDM4E (0.34) | — | |
| SCHEMBL534636 | 0.62 | MAOA (0.41) | — | |
| SCHEMBL28065696 | 0.58 | GRIN2D (0.40) | — | |
| SCHEMBL27441477 | 0.58 | SLC6A2 (0.33) | — | |
| SCHEMBL27671234 | 0.56 | OPRM1 (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 |
|---|---|---|---|---|---|---|---|
| EP-0480677-A2 | Thermoplastic resin-based molded article and process for producing the same | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1992-04-15 | — | — | EP | disclosed |
| US-4031067-A | Polytriazines and a process for their production | BAYER AKTIENGESELLSCHAFT (DT) | 1977-06-21 | — | — | US | disclosed |