⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15074245 | 0.98 | — | — | |
| SCHEMBL14251172 | 0.98 | — | — | |
| SCHEMBL313343 | 0.98 | — | — | |
| Water SCHEMBL1315360 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL27837501 | 0.95 | — | — | |
| Methyl Alcohol SCHEMBL2743758 | 0.93 | KMT2A (0.40) | — | |
| Methylene Chloride SCHEMBL10495455 | 0.91 | POLB (0.38) | — | |
| SCHEMBL1961398 | 0.91 | — | — | |
| SCHEMBL26985875 | 0.91 | — | — | |
| Chloroform SCHEMBL1018463 | 0.89 | POLB (0.37) | — |
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-4357466-A | FROM A TOSYLATED DERIVATIVE | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) | 1982-11-02 | — | — | US | disclosed |