⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL233206 | 0.70 | — | — | |
| SCHEMBL19467304 | 0.67 | — | — | |
| SCHEMBL234991 | 0.64 | — | — | |
| SCHEMBL27391455 | 0.64 | — | — | |
| SCHEMBL27990136 | 0.64 | — | — | |
| SCHEMBL231782 | 0.64 | — | — | |
| SCHEMBL233204 | 0.64 | — | — | |
| SCHEMBL1526014 | 0.63 | — | — | |
| SCHEMBL13669535 | 0.63 | — | — | |
| SCHEMBL15499154 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1223254-A | Tertiary alkyl primary amines and process for preparing the same | ROHM & HAAS (US) | 1999-07-21 | — | — | CN | disclosed |