⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11473960 | 0.97 | — | — | |
| SCHEMBL6848203 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL17433956 | 0.95 | — | — | |
| SCHEMBL11457956 | 0.81 | TSHR (0.39) | — | |
| SCHEMBL2110683 | 0.79 | TSHR (0.35) | — | |
| SCHEMBL2566927 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL933721 | 0.78 | — | — | |
| SCHEMBL7446961 | 0.77 | — | — | |
| SCHEMBL4672910 | 0.77 | — | — | |
| SCHEMBL17229183 | 0.77 | — | — |
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-4220729-A | ORGANIC AMINE-METAL COMPLEX SOLUBLE IN ISOCYANATE RAW MATERIAL | MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) | 1980-09-02 | — | — | US | disclosed |