⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8742065 | 0.67 | — | — | |
| SCHEMBL29035804 | 0.66 | KMT2A (0.36) | — | |
| SCHEMBL8742075 | 0.65 | CYP1A2 (0.34) | — | |
| Ammonia Solution, Strong SCHEMBL27607319 | 0.64 | — | — | |
| Methane SCHEMBL27759073 | 0.64 | — | — | |
| SCHEMBL6498211 | 0.60 | — | — | |
| SCHEMBL8650980 | 0.60 | LMNA (0.40) | — | |
| SCHEMBL3648508 | 0.60 | — | — | |
| SCHEMBL6872594 | 0.59 | — | — | |
| SCHEMBL4067354 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2562171-A1 | GERMINATION-STIMULANT CARBAMATE DERIVATIVES AND PROCESS FOR PREPARATION THEREOF | National University Corporation Kobe University (JP) | 2013-02-27 | — | — | EP | disclosed |