⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20279204 | 0.96 | ALOX5 (0.31) | — | |
| SCHEMBL10001313 | 0.96 | ALOX5 (0.31) | — | |
| SCHEMBL10329674 | 0.94 | ALOX5 (0.31) | — | |
| SCHEMBL10329659 | 0.94 | ALOX5 (0.31) | — | |
| SCHEMBL10329658 | 0.94 | ALOX5 (0.31) | — | |
| SCHEMBL10329672 | 0.94 | ALOX5 (0.31) | — | |
| SCHEMBL13561142 | 0.91 | — | — | |
| SCHEMBL10329662 | 0.90 | ALOX5 (0.34) | — | |
| SCHEMBL10329670 | 0.90 | ALOX5 (0.34) | — | |
| SCHEMBL10329668 | 0.90 | ALOX5 (0.34) | — |
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-9312491-B2 | Polymer and photoelectric conversion element | JX NIPPON OIL & ENERGY CORPORATION (JP) | 2016-04-12 | — | — | US | disclosed |