⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19730 | 0.77 | — | — | |
| SCHEMBL639214 | 0.77 | — | — | |
| Chloromethane SCHEMBL18426112 | 0.76 | CYP1A2 (0.42) | — | |
| Chloromethane SCHEMBL1802829 | 0.76 | LMNA (0.48) | — | |
| SCHEMBL7762648 | 0.75 | — | — | |
| Bromide SCHEMBL10351103 | 0.75 | LMNA (0.52) | — | |
| Hydrochloric Acid SCHEMBL6055069 | 0.75 | LMNA (0.46) | — | |
| Hydrochloric Acid SCHEMBL718263 | 0.75 | BLM (0.52) | — | |
| SCHEMBL28448112 | 0.74 | — | — | |
| SCHEMBL4289094 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0840648-B1 | SUPERPARAMAGNETIC MONODISPERSED PARTICLES | BIO MERIEUX (FR) | 2001-09-05 | — | — | EP | claimed |