⚠ 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 | |
|---|---|---|---|---|
| Cetohexazine SCHEMBL2734313 | 0.76 | — | — | |
| SCHEMBL101908 | 0.76 | — | — | |
| SCHEMBL5843874 | 0.73 | — | — | |
| SCHEMBL20743794 | 0.73 | — | — | |
| SCHEMBL20206805 | 0.73 | — | — | |
| SCHEMBL13351320 | 0.73 | — | — | |
| SCHEMBL8480598 | 0.71 | GRIN2D (0.45) | — | |
| SCHEMBL183222 | 0.70 | — | — | |
| SCHEMBL9451867 | 0.70 | GRIN2D (0.37) | — | |
| SCHEMBL9451872 | 0.70 | GRIA1 (0.50) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9695182-B2 | Chemical compounds (derivatives) and their application for the treatment of oncological diseases | LIMITED LIABILITY COMPANY “NATIONAL PHARMACEUTICAL TECHNOLOGIES” (RU) | 2017-07-04 | — | — | US | disclosed |
| US-20160200729-A1 | NEW CHEMICAL COMPOUNDS (DERIVATIVES) AND THEIR APPLICATION FOR THE TREATMENT OF ONCOLOGICAL DISEASES | LIMITED LIABILITY COMPANY (RU) | 2016-07-14 | — | — | US | disclosed |