⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7060437 | 0.80 | — | — | |
| SCHEMBL463034 | 0.73 | — | — | |
| SCHEMBL1269845 | 0.69 | CYP2C9 (0.44) | — | |
| Methylcyclopentane SCHEMBL862 | 0.69 | — | — | |
| SCHEMBL1269342 | 0.69 | CYP2C9 (0.44) | — | |
| SCHEMBL34468141 | 0.69 | CYP2C9 (0.44) | — | |
| SCHEMBL287248 | 0.67 | — | — | |
| Cycloheptane SCHEMBL23885013 | 0.66 | ACHE (0.43) | — | |
| SCHEMBL9256078 | 0.66 | ACHE (0.43) | — | |
| Methylcyclopentane SCHEMBL8234171 | 0.66 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1379577-B1 | CONTROLLING SOLAR RADIATION IN SAFETY GLASS LAMINATES | SOLUTIA INC (US) | 2004-08-25 | — | — | EP | claimed |
| EP-2314583-B1 | NITROGENATED HETEROCYCLIC DERIVATIVE, AND AGRICULTURAL OR HORTICULTURAL BACTERICIDAL AGENT | NIPPON SODA CO (JP) | 2015-02-25 | — | — | EP | disclosed |
| US-8557738-B2 | Nitrogen-containing heterocyclic derivative and fungicide for agricultural and horticultural use | NIPPON SODA CO., LTD. (JP) | 2013-10-15 | — | — | US | disclosed |
| US-20110136782-A1 | NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE | NIPPON SODA CO., LTD (JP) | 2011-06-09 | — | — | US | disclosed |
| EP-2314583-A1 | NITROGENATED HETEROCYCLIC DERIVATIVE, AND AGRICULTURAL OR HORTICULTURAL BACTERICIDAL AGENT | Nippon Soda Co., Ltd. (JP) | 2011-04-27 | — | — | EP | disclosed |