⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2404897 | 0.78 | — | — | |
| SCHEMBL988950 | 0.75 | — | — | |
| SCHEMBL620005 | 0.72 | — | — | |
| SCHEMBL1173820 | 0.71 | — | — | |
| SCHEMBL18140827 | 0.69 | — | — | |
| Rubidium SCHEMBL18140206 | 0.69 | — | — | |
| SCHEMBL18141357 | 0.69 | — | — | |
| SCHEMBL17476640 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL18140014 | 0.69 | — | — | |
| SCHEMBL1503508 | 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-3992333-A | NITROGEN AND SULFUR CONTAINING COPOLYMER IS SELF-CROSSLINKING BINDER | ROHM AND HAAS COMPANY (US) | 1976-11-16 | — | — | US | disclosed |