⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10393977 | 0.77 | TAS2R38 (0.39) | — | |
| SCHEMBL11497076 | 0.77 | — | — | |
| SCHEMBL30965438 | 0.73 | — | — | |
| SCHEMBL7894024 | 0.72 | — | — | |
| SCHEMBL6671577 | 0.72 | — | — | |
| SCHEMBL10800409 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL27524120 | 0.71 | — | — | |
| SCHEMBL28023370 | 0.71 | — | — | |
| SCHEMBL10800455 | 0.71 | — | — | |
| SCHEMBL457688 | 0.71 | — | — |
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-4480260-A | CLAY, ZINC CARBONATE, THIOUREA COMPOUND, AND BISPHENOL | JUJO PAPER CO., LTD. (JP) | 1984-10-30 | — | — | US | disclosed |