⚠ 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 | |
|---|---|---|---|---|
| Pyrrolidine SCHEMBL28303491 | 0.91 | ALDH1A1 (0.53) | — | |
| Pyrrolidine SCHEMBL9290741 | 0.91 | — | — | |
| Piperidine SCHEMBL8759301 | 0.88 | ALDH1A1 (0.50) | — | |
| Propionitrile SCHEMBL29002355 | 0.84 | ALDH1A1 (0.90) | — | |
| Morpholine SCHEMBL3056332 | 0.84 | MEN1 (0.52) | — | |
| Propionitrile SCHEMBL27701221 | 0.80 | — | — | |
| Propionitrile SCHEMBL28117218 | 0.80 | — | — | |
| Propionitrile SCHEMBL15485 | 0.80 | — | — | |
| Propionitrile SCHEMBL2872825 | 0.80 | — | — | |
| Propionitrile SCHEMBL27981735 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0775127-A1 | N-ALKYL AMMONIUM ACETONITRILE BLEACH ACTIVATORS | The Clorox Company (US) | 1997-05-28 | — | — | EP | disclosed |
| WO-1996040661-A1 | N-ALKYL AMMONIUM ACETONITRILE BLEACH ACTIVATORS | THE CLOROX COMPANY (US) | 1996-12-19 | — | — | WO | disclosed |