⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5651565 | 0.81 | — | — | |
| SCHEMBL5645953 | 0.81 | — | — | |
| SCHEMBL5649694 | 0.79 | — | — | |
| SCHEMBL5646448 | 0.77 | — | — | |
| SCHEMBL5646437 | 0.76 | CETP (0.33) | — | |
| SCHEMBL5644674 | 0.76 | — | — | |
| SCHEMBL5645968 | 0.73 | LMNA (0.36) | — | |
| SCHEMBL10740811 | 0.71 | MEN1 (0.36) | — | |
| SCHEMBL1285662 | 0.71 | MEN1 (0.36) | — | |
| SCHEMBL1926380 | 0.71 | MEN1 (0.36) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7271282-B1 | Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester | NEW JAPAN CHEMICAL CO., LTD. (JP) | 2007-09-18 | — | — | US | disclosed |