⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7181340 | 1.00 | — | — | |
| SCHEMBL7181339 | 1.00 | — | — | |
| SCHEMBL11819068 | 0.80 | CES2 (0.42) | — | |
| SCHEMBL11819065 | 0.80 | CES2 (0.42) | — | |
| SCHEMBL11821386 | 0.78 | CES2 (0.46) | — | |
| SCHEMBL11821390 | 0.78 | CES2 (0.46) | — | |
| SCHEMBL10987145 | 0.78 | CES2 (0.46) | — | |
| SCHEMBL17432039 | 0.76 | — | — | |
| SCHEMBL7179339 | 0.75 | MAPT (0.33) | — | |
| SCHEMBL7179344 | 0.75 | MAPT (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1087923-B1 | NOVEL FRAGRANCE COMPOUNDS | QUEST INT (NL) | 2003-05-28 | — | — | EP | disclosed |