⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14944459 | 0.88 | CYP1A2 (0.38) | — | |
| SCHEMBL12695097 | 0.86 | CYP2D6 (0.34) | — | |
| SCHEMBL131689 | 0.86 | — | — | |
| SCHEMBL14486633 | 0.86 | CYP2D6 (0.34) | — | |
| SCHEMBL6180210 | 0.86 | — | — | |
| SCHEMBL22872227 | 0.84 | SMN1; SMN2 (0.48) | — | |
| Ammonia Solution, Strong SCHEMBL9287 | 0.83 | — | — | |
| SCHEMBL18417196 | 0.79 | CYP2D6 (0.31) | — | |
| SCHEMBL9647512 | 0.79 | CYP1A2 (0.32) | — | |
| SCHEMBL9647523 | 0.79 | CYP1A2 (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9217058-B2 | Acetal metathesis polymerization | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2015-12-22 | — | — | US | disclosed |
| US-9217058-B2 | Acetal metathesis polymerization | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2015-12-22 | — | — | US | disclosed |
| US-20140024801-A1 | ACETAL METATHESIS POLYMERIZATION | UNVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2014-01-23 | — | — | US | disclosed |
| US-20140024801-A1 | ACETAL METATHESIS POLYMERIZATION | UNVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2014-01-23 | — | — | US | disclosed |