⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL357196 | 0.98 | ALDH1A1 (0.30) | — | |
| SCHEMBL4965422 | 0.86 | — | — | |
| SCHEMBL357060 | 0.83 | ALDH1A1 (0.31) | — | |
| SCHEMBL3646926 | 0.81 | CES1 (0.33) | — | |
| SCHEMBL647908 | 0.80 | ALDH1A1 (0.32) | — | |
| Phosphine SCHEMBL4090593 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL13049523 | 0.78 | — | — | |
| SCHEMBL3394318 | 0.77 | CES1 (0.33) | — | |
| SCHEMBL4367948 | 0.77 | — | — | |
| Potassium Ion SCHEMBL357913 | 0.75 | — | — |
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-2176332-B1 | FLAME RETARDANT POLYTRIMETHYLENE TEREPHTHALATE COMPOSITION | DU PONT (US) | 2011-06-29 | — | — | EP | disclosed |
| US-20090043016-A1 | FLAME RETARDANT POLYTRIMETHYLENE TEREPHTHALATE COMPOSITION | E. I. DU PONT DE NEMOURS AND COMPANY | 2009-02-12 | — | — | US | disclosed |