⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21523570 | 0.66 | — | — | |
| SCHEMBL3995271 | 0.65 | — | — | |
| SCHEMBL19964904 | 0.64 | — | — | |
| SCHEMBL19865208 | 0.64 | — | — | |
| SCHEMBL3661832 | 0.63 | — | — | |
| SCHEMBL5591412 | 0.61 | — | — | |
| SCHEMBL1628486 | 0.61 | CYP1A2 (0.40) | — | |
| SCHEMBL15295078 | 0.61 | ALDH1A1 (0.31) | — | |
| SCHEMBL9240438 | 0.60 | — | — | |
| SCHEMBL910630 | 0.59 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2268599-B1 | Derivatives of campholenic aldehyde | GIVAUDAN SA (CH) | 2011-09-21 | — | — | EP | claimed |
| EP-2268599-A1 | ORGANIC COMPOUNDS | Givaudan SA (CH) | 2011-01-05 | — | — | EP | claimed |
| US-20100322889-A1 | Organic Compounds | GIVAUDAN SA (CH) | 2010-12-23 | — | — | US | claimed |
| WO-2009100555-A1 | ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2009-08-20 | — | — | WO | claimed |
| EP-2268599-B1 | Derivatives of campholenic aldehyde | GIVAUDAN SA (CH) | 2011-09-21 | — | — | EP | disclosed |
| EP-2268599-A1 | ORGANIC COMPOUNDS | Givaudan SA (CH) | 2011-01-05 | — | — | EP | disclosed |
| US-20100322889-A1 | Organic Compounds | GIVAUDAN SA (CH) | 2010-12-23 | — | — | US | disclosed |
| WO-2009100555-A1 | ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2009-08-20 | — | — | WO | disclosed |