⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5891723 | 0.85 | MEN1 (0.33) | — | |
| SCHEMBL4264239 | 0.85 | KCNH2 (0.31) | — | |
| SCHEMBL9504513 | 0.81 | KCNH2 (0.39) | — | |
| N,N-Dimethylethanaminium SCHEMBL4443164 | 0.80 | DNM1 (0.30) | — | |
| Methoxymethane SCHEMBL27447998 | 0.78 | ALDH1A1 (0.35) | — | |
| Butane SCHEMBL3984103 | 0.78 | — | — | |
| Propane SCHEMBL27533742 | 0.78 | — | — | |
| Hydroxyl Radical SCHEMBL928182 | 0.78 | — | — | |
| SCHEMBL2452116 | 0.78 | — | — | |
| Butane SCHEMBL6004324 | 0.73 | ALDH1A1 (0.33) | — |
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-20040197484-A1 | Coating liquid for forming insulating film and method for producing insulating film | SUMITOMO CHEMICAL COMPANY, LIMITED | 2004-10-07 | — | — | US | disclosed |