⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7950383 | 1.00 | — | — | |
| SCHEMBL18570155 | 0.76 | — | — | |
| SCHEMBL10791045 | 0.74 | — | — | |
| SCHEMBL10791050 | 0.74 | — | — | |
| SCHEMBL20038069 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL12968420 | 0.72 | — | — | |
| SCHEMBL12968415 | 0.71 | — | — | |
| SCHEMBL8109784 | 0.70 | TSHR (0.30) | — | |
| SCHEMBL7555039 | 0.70 | — | — | |
| SCHEMBL7555041 | 0.70 | — | — |
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-6258854-B1 | KETONE ETHERS FOR ODORS | GIVAUDAN ROURE ( INTERNATIONAL ) SA (CH) | 2001-07-10 | — | — | US | disclosed |
| EP-0983990-A2 | Ketones useful as precursors for organoleptic compounds | Givaudan Roure (International) S.A. (CH) | 2000-03-08 | — | — | EP | disclosed |