⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12886169 | 0.82 | — | — | |
| SCHEMBL5262357 | 0.80 | — | — | |
| SCHEMBL5262362 | 0.80 | — | — | |
| SCHEMBL28181371 | 0.80 | — | — | |
| SCHEMBL20864261 | 0.77 | — | — | |
| SCHEMBL26907369 | 0.77 | — | — | |
| SCHEMBL1758560 | 0.75 | KAT2B (0.37) | — | |
| SCHEMBL1774409 | 0.74 | P2RX7 (0.36) | — | |
| SCHEMBL31549240 | 0.70 | KMT2A (0.40) | — | |
| SCHEMBL13981849 | 0.70 | ALDH1A1 (0.39) | — |
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-6271385-B1 | FUNGICIDES (SUCH AS THOSE FOR USE IN FARMING AND HORTICULTURE). | KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 2001-08-07 | — | — | US | disclosed |
| EP-1020441-A1 | N-HETEROCYCLIC METHYLPROPYLAMINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND GERMICIDES | KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 2000-07-19 | — | — | EP | disclosed |