⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9313063 | 1.00 | — | — | |
| SCHEMBL218089 | 0.90 | DNM1 (0.39) | — | |
| SCHEMBL10997895 | 0.90 | DNM1 (0.39) | — | |
| SCHEMBL253395 | 0.90 | DNM1 (0.39) | — | |
| SCHEMBL216575 | 0.90 | DNM1 (0.39) | — | |
| SCHEMBL216576 | 0.90 | DNM1 (0.39) | — | |
| SCHEMBL253396 | 0.90 | DNM1 (0.39) | — | |
| SCHEMBL10997899 | 0.90 | DNM1 (0.39) | — | |
| SCHEMBL218088 | 0.90 | DNM1 (0.39) | — | |
| SCHEMBL23811417 | 0.83 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1995021155-A1 | PROCESS FOR PREPARING N,N-SUBSTITUTED CARBAMOYL HALIDES FROM SECONDARY AMINES, CARBON DIOXIDE AND HALIDE-CONTAINING ELECTROPHILIC COMPOUNDS | MONSANTO COMPANY (US) | 1995-08-10 | — | — | WO | disclosed |
| WO-1995018098-A1 | PROCESS FOR PREPARING ISOCYANATES | MONSANTO COMPANY (US) | 1995-07-06 | — | — | WO | disclosed |
| US-5322852-A | Antitumor, antiprotozoa agents | CIBA-GEIGY CORP. (US) | 1994-06-21 | — | — | US | disclosed |
| EP-0558443-A1 | O-Piperidyl-(3/4)-hydroxylamines and O-piperidyl-(3/4)-alkyl-hydroxylamines and their use as ornithine decarboxylase inhibitors | CIBA-GEIGY AG (CH) | 1993-09-01 | — | — | EP | disclosed |