⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1720575 | 0.72 | — | — | |
| SCHEMBL2795931 | 0.72 | — | — | |
| SCHEMBL3071314 | 0.72 | — | — | |
| SCHEMBL1298104 | 0.69 | — | — | |
| SCHEMBL83632 | 0.67 | — | — | |
| SCHEMBL18652075 | 0.67 | — | — | |
| Methylamine SCHEMBL2074503 | 0.67 | — | — | |
| SCHEMBL10512439 | 0.67 | — | — | |
| SCHEMBL15192629 | 0.65 | — | — | |
| SCHEMBL14135808 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5750757-A | Pesticidal ester preparation | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 1998-05-12 | — | — | US | disclosed |
| US-5621132-A | Process for making alkyl N-alkyl or N-aryl-thiocarbamates | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 1997-04-15 | — | — | US | disclosed |