⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4405212 | 0.83 | — | — | |
| SCHEMBL10430149 | 0.75 | TYMS (0.38) | — | |
| SCHEMBL8583411 | 0.73 | FDPS (0.46) | — | |
| SCHEMBL10885015 | 0.71 | — | — | |
| SCHEMBL2141213 | 0.71 | — | — | |
| SCHEMBL923939 | 0.70 | — | — | |
| SCHEMBL9001049 | 0.69 | — | — | |
| SCHEMBL2787248 | 0.69 | GABBR2 (0.46) | — | |
| SCHEMBL9347231 | 0.69 | — | — | |
| SCHEMBL4407510 | 0.69 | — | — |
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-3966478-A | N,N-Dialkyl O,O-bis(haloalkyl)phosphoramidate flame retardant | STAUFFER CHEMICAL COMPANY (US) | 1976-06-29 | — | — | US | disclosed |