⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10880586 | 1.00 | — | — | |
| SCHEMBL10880040 | 0.75 | TSHR (0.37) | — | |
| SCHEMBL10938456 | 0.75 | TSHR (0.37) | — | |
| SCHEMBL9978571 | 0.75 | — | — | |
| SCHEMBL10879016 | 0.68 | — | — | |
| SCHEMBL10879010 | 0.68 | — | — | |
| SCHEMBL13068745 | 0.67 | TSHR (0.30) | — | |
| SCHEMBL110979 | 0.67 | TSHR (0.30) | — | |
| SCHEMBL110978 | 0.67 | TSHR (0.30) | — | |
| SCHEMBL18768374 | 0.67 | TSHR (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0085352-B1 | UNSATURATED OXIMES, PREPARATION THEREOF AND USE THEREOF AS PERFUME AND IN THE FRAGMENT COMPOSITIONS | L. GIVAUDAN & CIE Société Anonyme (CH) | 1986-01-22 | — | — | EP | claimed |
| US-4544714-A | PERFUMES | GIVAUDAN CORPORATION (US) | 1985-10-01 | — | — | US | claimed |
| US-4544714-A | PERFUMES | GIVAUDAN CORPORATION (US) | 1985-10-01 | — | — | US | disclosed |