⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7633157 | 1.00 | — | — | |
| SCHEMBL6057081 | 0.97 | TSHR (0.30) | — | |
| SCHEMBL4903965 | 0.97 | TSHR (0.30) | — | |
| SCHEMBL6167449 | 0.92 | — | — | |
| SCHEMBL5452637 | 0.85 | ALDH1A1 (0.30) | — | |
| SCHEMBL502191 | 0.71 | TRIM24 (0.43) | — | |
| SCHEMBL11077890 | 0.71 | TRIM24 (0.43) | — | |
| SCHEMBL1332943 | 0.71 | TRIM24 (0.43) | — | |
| SCHEMBL4840007 | 0.71 | TRIM24 (0.43) | — | |
| SCHEMBL11067883 | 0.71 | TRIM24 (0.43) | — |
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-0962441-B1 | Bicyclic aldehydes and ketones | GIVAUDAN SA (CH) | 2002-11-13 | — | — | EP | disclosed |
| US-6242413-B1 | ALSO 4-METHYLENESPIRO(2.6)NONANE COMPOUNDS | GIVAUDAN ROURE (INTERNATIONAL) S.A. (CH) | 2001-06-05 | — | — | US | disclosed |
| EP-0962441-A1 | Bicyclic aldehydes and ketones | Givaudan Roure (International) S.A. (CH) | 1999-12-08 | — | — | EP | disclosed |