⚠ 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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL6712556 | 0.84 | — | — | |
| Acetonitrile SCHEMBL6711802 | 0.84 | TSHR (0.32) | — | |
| Acetonitrile SCHEMBL6709398 | 0.83 | TSHR (0.31) | — | |
| Acetonitrile SCHEMBL6712362 | 0.81 | TSHR (0.32) | — | |
| Acetonitrile SCHEMBL6712248 | 0.81 | TSHR (0.32) | — | |
| Acetonitrile SCHEMBL6716095 | 0.81 | TSHR (0.32) | — | |
| Acetonitrile SCHEMBL6710655 | 0.81 | TSHR (0.32) | — | |
| Acetonitrile SCHEMBL6716098 | 0.81 | TSHR (0.32) | — | |
| Acetonitrile SCHEMBL6711900 | 0.81 | TSHR (0.32) | — | |
| Acetonitrile SCHEMBL6712003 | 0.81 | TSHR (0.32) | — |
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-20040167259-A1 | Method for producing aqueous copolymer dispersions of copolymers consisting of carbon monoxide and olefinically unsaturated compounds | BASF AKTIENGESELLSCHAFT (DE) | 2004-08-26 | — | — | US | disclosed |