⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19611395 | 0.90 | — | — | |
| SCHEMBL8629 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL29509403 | 0.79 | — | — | |
| Tert-Butanol SCHEMBL6427661 | 0.79 | — | — | |
| Benzene SCHEMBL9421890 | 0.73 | ALDH1A1 (0.32) | — | |
| Alcohol SCHEMBL10760777 | 0.71 | — | — | |
| Acetic Acid SCHEMBL11542941 | 0.69 | FFAR3 (0.44) | — | |
| Oxirane SCHEMBL9421118 | 0.69 | — | — | |
| SCHEMBL15737830 | 0.68 | — | — | |
| SCHEMBL14250994 | 0.65 | — | — |
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-20110082147-A1 | SUBSTITUTED IMIDAZOTRIAZINES | CONCERT PHARMACEUTICALS, INC. (US) | 2011-04-07 | — | — | US | disclosed |