⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5533465 | 0.83 | ALDH1A1 (0.72) | — | |
| SCHEMBL3074569 | 0.78 | — | — | |
| SCHEMBL5830059 | 0.78 | ALDH1A1 (0.83) | — | |
| SCHEMBL11127833 | 0.78 | ALDH1A1 (0.94) | — | |
| SCHEMBL203440 | 0.78 | — | — | |
| SCHEMBL24234909 | 0.75 | ALDH1A1 (0.62) | — | |
| SCHEMBL14474342 | 0.75 | — | — | |
| SCHEMBL21450543 | 0.75 | — | — | |
| SCHEMBL10873869 | 0.75 | — | — | |
| SCHEMBL11460290 | 0.75 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0053495-B1 | PROCESS FOR PRODUCING N-(HALOMETHYL) ACYLAMIDES | MONSANTO COMPANY (US) | 1984-08-08 | — | — | EP | disclosed |
| EP-0057588-B1 | PROCESS FOR PRODUCING N-(HALOMETHYL)ACYLAMIDES | MONSANTO COMPANY (US) | 1984-03-21 | — | — | EP | disclosed |
| EP-0057588-A2 | Process for producing N-(halomethyl)acylamides | MONSANTO COMPANY (US) | 1982-08-11 | — | — | EP | disclosed |
| EP-0053495-A1 | Process for producing N-(halomethyl) acylamides | MONSANTO COMPANY (US) | 1982-06-09 | — | — | EP | disclosed |
| US-4322553-A | BY REACTING THE CORRESPONDING N-/ALKOXYMETHYL/ACRYLAMIDE WITH THTONYL CHLORIDE OR THIONYL BROMIDE | MONSANTO COMPANY (US) | 1982-03-30 | — | — | US | disclosed |
| US-4311858-A | Process for producing N-(halomethyl) acyl-amides | MONSANTO COMPANY (US) | 1982-01-19 | — | — | US | disclosed |