⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3291187 | 0.78 | — | — | |
| SCHEMBL8762557 | 0.78 | — | — | |
| SCHEMBL2100271 | 0.76 | — | — | |
| SCHEMBL11032462 | 0.76 | ALDH1A1 (0.40) | — | |
| SCHEMBL2100268 | 0.76 | — | — | |
| SCHEMBL28469229 | 0.76 | — | — | |
| SCHEMBL17767329 | 0.75 | — | — | |
| SCHEMBL464894 | 0.75 | — | — | |
| SCHEMBL21296283 | 0.74 | — | — | |
| SCHEMBL4529908 | 0.74 | GRIK1 (0.31) | — |
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-1611946-B1 | Microcapsule emulsion and method for producing the same | NISSIN CHEMICAL IND (JP) | 2011-07-27 | — | — | EP | disclosed |
| EP-1611946-A1 | Microcapsule emulsion and method for producing the same | Nissin Chemical Industry Co., Ltd. (JP) | 2006-01-04 | — | — | EP | disclosed |
| US-20050282011-A1 | Microcapsule emulsion and method for producing the same | NISSIN CHEMICAL INDUSTRY CO., LTD. | 2005-12-22 | — | — | US | disclosed |