⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17714597 | 1.00 | — | — | |
| SCHEMBL17051003 | 0.95 | — | — | |
| SCHEMBL17714598 | 0.95 | — | — | |
| SCHEMBL17714599 | 0.95 | — | — | |
| SCHEMBL17051019 | 0.94 | — | — | |
| SCHEMBL17051013 | 0.89 | — | — | |
| SCHEMBL17051011 | 0.88 | — | — | |
| SCHEMBL16353194 | 0.88 | ALDH1A1 (0.35) | — | |
| SCHEMBL17714596 | 0.88 | — | — | |
| SCHEMBL17051018 | 0.88 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150249214-A1 | CONJUGATED POLYMER, AND ELECTRON DONATING ORGANIC MATERIAL, MATERIAL FOR PHOTOVOLTAIC DEVICE AND PHOTOVOLTAIC DEVICE USING THE CONJUGATED POLYMER | TORAY INDUSTRIES, INC. (JP) | 2015-09-03 | — | — | US | disclosed |