⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11065717 | 1.00 | — | — | |
| SCHEMBL11065102 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL11062730 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL11062735 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL11059475 | 0.66 | ALDH1A1 (0.50) | — | |
| SCHEMBL11062359 | 0.62 | ACHE (0.33) | — | |
| SCHEMBL13826284 | 0.57 | NOS1 (0.36) | — | |
| SCHEMBL10626119 | 0.56 | TRPA1 (0.35) | — | |
| SCHEMBL11085142 | 0.55 | — | — | |
| SCHEMBL17970719 | 0.55 | — | — |
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-4432378-A | ORGANOLEPTIC; TOBACCO; FOODS; DETERGENTS; COSMETICS | FRITZSCHE, DODGE & OLCOTT, INC. (US) | 1984-02-21 | — | — | US | disclosed |
| US-4326996-A | FOR PERFUMES | FRITZSCHE DODGE & OLCOTT INC. (US) | 1982-04-27 | — | — | US | disclosed |