⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17063553 | 0.86 | — | — | |
| SCHEMBL15158291 | 0.83 | — | — | |
| SCHEMBL8184161 | 0.71 | — | — | |
| SCHEMBL8187363 | 0.70 | — | — | |
| Chloromethane SCHEMBL3670008 | 0.70 | — | — | |
| SCHEMBL5947696 | 0.69 | — | — | |
| SCHEMBL8183373 | 0.69 | — | — | |
| SCHEMBL9405181 | 0.68 | — | — | |
| SCHEMBL7149929 | 0.68 | — | — | |
| SCHEMBL7239095 | 0.68 | — | — |
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-6087493-A | ENZYME IHIBITORS | REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2000-07-11 | — | — | US | disclosed |