⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2945313 | 1.00 | — | — | |
| SCHEMBL26058736 | 0.71 | — | — | |
| SCHEMBL7324799 | 0.70 | NISCH (0.35) | — | |
| SCHEMBL7324805 | 0.69 | — | — | |
| SCHEMBL7324800 | 0.69 | — | — | |
| SCHEMBL7333678 | 0.68 | MIF (0.41) | — | |
| SCHEMBL9081580 | 0.68 | FDPS (0.39) | — | |
| SCHEMBL20561166 | 0.67 | — | — | |
| SCHEMBL2921971 | 0.67 | — | — | |
| SCHEMBL7447208 | 0.67 | CYP19A1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100113460-A1 | Organic Compounds | GIVAUDAN SA (CH) | 2010-05-06 | — | — | US | disclosed |
| EP-2139354-A2 | ORGANIC COMPOUNDS | Givaudan SA (CH) | 2010-01-06 | — | — | EP | disclosed |
| WO-2008116339-A2 | ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2008-10-02 | — | — | WO | disclosed |