⚠ 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 | |
|---|---|---|---|---|
| Acrylonitrile SCHEMBL11662316 | 0.88 | — | — | |
| Acrylonitrile SCHEMBL150443 | 0.88 | — | — | |
| Acrylonitrile SCHEMBL28085505 | 0.84 | — | — | |
| Acrylonitrile SCHEMBL28206502 | 0.84 | ALDH1A1 (0.82) | — | |
| Acrylonitrile SCHEMBL1331669 | 0.83 | — | — | |
| Acrylonitrile SCHEMBL28610206 | 0.83 | — | — | |
| Acrylonitrile SCHEMBL1331795 | 0.83 | — | — | |
| Acrylonitrile SCHEMBL22582794 | 0.83 | — | — | |
| Acrylonitrile SCHEMBL1330109 | 0.83 | — | — | |
| Acrylonitrile SCHEMBL6469074 | 0.83 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4350775-A | FOAMED POLYURETHANE ADDITION-CONDENSATION POLYMER PRODUCTS | BLOUNT DAVID H | 1982-09-21 | — | — | US | disclosed |
| US-4332926-A | Process for the production of alkali metal silicate-organic plastics | BLOUNT DAVID H | 1982-06-01 | — | — | US | disclosed |
| US-4303768-A | POLYMERIZABLE UNSATURATED COMPOUND, ACID SALT FORMER, CATALYST | BLOUNT DAVID H | 1981-12-01 | — | — | US | disclosed |