⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2122718 | 1.00 | — | — | |
| SCHEMBL2120877 | 1.00 | — | — | |
| SCHEMBL118916 | 1.00 | — | — | |
| Hydrazine SCHEMBL27822364 | 0.96 | — | — | |
| SCHEMBL10364430 | 0.94 | — | — | |
| SCHEMBL10364428 | 0.94 | — | — | |
| Acetaldehyde SCHEMBL7982165 | 0.93 | — | — | |
| 2-(Nitromethylene)Thiazolidine SCHEMBL1871570 | 0.88 | — | — | |
| 2-(Nitromethylene)Thiazolidine SCHEMBL10363912 | 0.88 | — | — | |
| 2-(Nitromethylene)Thiazolidine SCHEMBL1871573 | 0.88 | — | — |
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-5972934-A | NITHIAZINE AND A HYDROXYALKYL-TERT-AMINE; INSECTICIDES | NOVARTIS AG (CH) | 1999-10-26 | — | — | US | disclosed |