⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL83195 | 1.00 | — | — | |
| SCHEMBL1148890 | 1.00 | — | — | |
| SCHEMBL7360956 | 0.80 | — | — | |
| SCHEMBL11408595 | 0.80 | MAPT (0.34) | — | |
| SCHEMBL29131723 | 0.79 | — | — | |
| SCHEMBL8049544 | 0.79 | — | — | |
| SCHEMBL2409806 | 0.79 | — | — | |
| SCHEMBL16189752 | 0.79 | — | — | |
| SCHEMBL29131721 | 0.79 | — | — | |
| SCHEMBL6665926 | 0.79 | CYP19A1 (0.40) | — |
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-20110034510-A1 | ENANTIOMER-ENRICHED ALPHA-,OMEGA-AMINO ALCOHOL DERIVATIVES, THEIR PRODUCTION AND USE AS INSECT- AND MITE-REPELLING AGENTS | SALTIGO GMBH (DE) | 2011-02-10 | — | — | US | disclosed |