⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL49082 | 0.80 | MTNR1A (0.37) | — | |
| SCHEMBL114414 | 0.78 | LMNA (0.30) | — | |
| SCHEMBL29000236 | 0.78 | PAOX (0.36) | — | |
| SCHEMBL21658752 | 0.78 | LMNA (0.30) | — | |
| SCHEMBL3640242 | 0.78 | MTNR1A (0.36) | — | |
| Charcoal, Activated SCHEMBL31567652 | 0.78 | MTNR1A (0.36) | — | |
| Methyl Alcohol SCHEMBL28185873 | 0.78 | MTNR1A (0.36) | — | |
| SCHEMBL57096 | 0.78 | KDM4E (0.34) | — | |
| SCHEMBL679993 | 0.75 | EPHX1 (0.38) | — | |
| SCHEMBL9985974 | 0.74 | EPHX1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8962716-B2 | Curable composition | KANEKA CORPORATION (JP) | 2015-02-24 | — | — | US | disclosed |
| US-20130116378-A1 | CURABLE COMPOSITION | KANEKA CORPORATION (JP) | 2013-05-09 | — | — | US | disclosed |