⚠ 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 | |
|---|---|---|---|---|
| Dimethylformamide SCHEMBL27460616 | 0.92 | TSHR (0.69) | — | |
| Dimethylformamide SCHEMBL1927321 | 0.91 | TSHR (1.00) | — | |
| Dimethylformamide SCHEMBL10141201 | 0.91 | — | — | |
| Dimethylformamide SCHEMBL1332179 | 0.91 | — | — | |
| Dimethylformamide SCHEMBL2280000 | 0.91 | — | — | |
| Dimethylformamide SCHEMBL5 | 0.91 | — | — | |
| Dimethylformamide SCHEMBL10597209 | 0.86 | — | — | |
| Dimethylformamide SCHEMBL22749119 | 0.86 | — | — | |
| Dimethylformamide SCHEMBL9534280 | 0.86 | TSHR (0.90) | — | |
| Dimethylformamide SCHEMBL21436169 | 0.86 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102428080-A | Therapeutic or prophylactic agent for diseases in which neurotrophic factor activity participates | SUMITOMO CHEMICAL CO | 2012-04-25 | — | — | CN | disclosed |
| CN-1413112-A | Nasal drops containing fused pyridazine derivatives | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-04-23 | — | — | CN | disclosed |
| US-4454337-A | Semicarbazide intermediates for preparing 4-substituted indoles | SMITHKLINE BECKMAN CORPORATION (US) | 1984-06-12 | — | — | US | disclosed |
| US-4394514-A | Processes for preparing 4-substituted indoles | SMITHKLINE BECKMAN CORPORATION (US) | 1983-07-19 | — | — | US | disclosed |