⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13540497 | 0.67 | — | — | |
| SCHEMBL753503 | 0.66 | KDM4E (0.30) | — | |
| SCHEMBL8532605 | 0.65 | LMNA (0.40) | — | |
| SCHEMBL12873459 | 0.64 | ACHE (0.34) | — | |
| SCHEMBL11175560 | 0.62 | ALDH1A1 (0.32) | — | |
| SCHEMBL22717148 | 0.59 | ESR1 (0.48) | — | |
| SCHEMBL6234216 | 0.59 | ALDH1A1 (0.42) | — | |
| SCHEMBL6715009 | 0.57 | ALDH1A1 (0.40) | — | |
| SCHEMBL295908 | 0.57 | ESR1 (0.46) | — | |
| SCHEMBL13016375 | 0.56 | ESR1 (0.45) | — |
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-9951094-B2 | Phosphole compound and fluorescent dye containing the same | NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) | 2018-04-24 | — | — | US | disclosed |