⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL150486 | 0.97 | — | — | |
| SCHEMBL28052046 | 0.97 | ALDH1A1 (1.00) | — | |
| Ammonia Solution, Strong SCHEMBL1258393 | 0.94 | — | — | |
| Butadiene SCHEMBL27967344 | 0.91 | ALDH1A1 (0.88) | — | |
| Hydrochloric Acid SCHEMBL27676073 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL27676072 | 0.91 | — | — | |
| SCHEMBL28170729 | 0.88 | — | — | |
| SCHEMBL27734428 | 0.88 | ALDH1A1 (0.83) | — | |
| SCHEMBL23726379 | 0.86 | ALDH1A1 (0.79) | — | |
| SCHEMBL11747353 | 0.86 | ALDH1A1 (0.79) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104011014-B | Process for producing nitrile | INVISTA TECHNOLOGIES S.A.R.L. (CH) | 2016-05-11 | — | — | CN | disclosed |