⚠ 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 | |
|---|---|---|---|---|
| Chloromethane SCHEMBL28006060 | 0.80 | MAPT (0.53) | — | |
| SCHEMBL17605 | 0.80 | — | — | |
| SCHEMBL371272 | 0.77 | — | — | |
| SCHEMBL3194340 | 0.76 | MAPT (0.56) | — | |
| SCHEMBL7847303 | 0.76 | MAPT (0.56) | — | |
| Bromide SCHEMBL8460963 | 0.76 | — | — | |
| Water SCHEMBL1283690 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL3796062 | 0.76 | — | — | |
| Fluoride SCHEMBL1811139 | 0.76 | — | — | |
| SCHEMBL7850457 | 0.76 | MAPT (0.56) | — |
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-20100105655-A1 | NOVEL COMPOUNDS 515 | ASTRAZENECA AB | 2010-04-29 | — | — | US | disclosed |