⚠ 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 | |
|---|---|---|---|---|
| Benzonitrile SCHEMBL27793280 | 1.00 | TSHR (1.00) | — | |
| Benzonitrile SCHEMBL9464940 | 1.00 | TSHR (1.00) | — | |
| Benzonitrile SCHEMBL30929383 | 1.00 | TSHR (1.00) | — | |
| Benzonitrile SCHEMBL27363057 | 1.00 | TSHR (1.00) | — | |
| Benzonitrile SCHEMBL6640 | 1.00 | — | — | |
| Benzonitrile SCHEMBL21752925 | 1.00 | — | — | |
| Benzonitrile SCHEMBL2153738 | 1.00 | TSHR (1.00) | — | |
| Benzonitrile SCHEMBL25253064 | 0.97 | TSHR (0.93) | — | |
| Benzonitrile SCHEMBL11774035 | 0.97 | — | — | |
| Benzonitrile SCHEMBL11740588 | 0.97 | TSHR (0.93) | — |
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-4424307-A | Oxymethylene polymer modified with 1,2-polybutadiene exhibiting enhanced tensile impact properties | CELANESE CORPORATION (US) | 1984-01-03 | — | — | US | disclosed |