⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2407821 | 0.83 | NOS3 (0.37) | — | |
| SCHEMBL558287 | 0.70 | — | — | |
| SCHEMBL6378126 | 0.69 | MAPT (0.33) | — | |
| SCHEMBL791761 | 0.67 | — | — | |
| SCHEMBL830961 | 0.64 | NOS3 (0.36) | — | |
| SCHEMBL2698039 | 0.64 | — | — | |
| SCHEMBL15822865 | 0.64 | MEN1 (0.33) | — | |
| SCHEMBL3946974 | 0.64 | — | — | |
| SCHEMBL15970532 | 0.63 | — | — | |
| SCHEMBL8308634 | 0.62 | HSP90AA1 (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2046147-B1 | METHOD OF USING ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2013-05-01 | — | — | EP | disclosed |
| US-20090311403-A1 | Method of Using Organic Compounds | GIVAUDAN SA (CH) | 2009-12-17 | — | — | US | disclosed |
| EP-2046147-A1 | METHOD OF USING ORGANIC COMPOUNDS | Givaudan SA (CH) | 2009-04-15 | — | — | EP | disclosed |
| WO-2008011742-A1 | METHOD OF USING ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2008-01-31 | — | — | WO | disclosed |