⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1230818 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL28569741 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL6010473 | 0.78 | — | — | |
| SCHEMBL331880 | 0.76 | — | — | |
| Acetic Acid SCHEMBL31254063 | 0.75 | FFAR3 (0.44) | — | |
| SCHEMBL9804362 | 0.75 | TSHR (0.37) | — | |
| SCHEMBL1315976 | 0.73 | — | — | |
| Phosphine SCHEMBL6846738 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL3858069 | 0.73 | — | — | |
| SCHEMBL665337 | 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 |
|---|---|---|---|---|---|---|---|
| US-4330432-A | Catalyst composition | GULF RESEARCH & DEVELOPMENT COMPANY (US) | 1982-05-18 | — | — | US | disclosed |