⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15999311 | 0.72 | CA12 (0.44) | — | |
| SCHEMBL11559778 | 0.72 | — | — | |
| SCHEMBL6969601 | 0.69 | — | — | |
| SCHEMBL11186126 | 0.67 | — | — | |
| Trimethylammonium SCHEMBL27290312 | 0.63 | — | — | |
| SCHEMBL9819382 | 0.62 | — | — | |
| SCHEMBL20281477 | 0.62 | — | — | |
| SCHEMBL11565054 | 0.61 | — | — | |
| SCHEMBL801785 | 0.59 | — | — | |
| SCHEMBL2218395 | 0.59 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0043917-A2 | Esters of N-acylated-N-methyl-0-pyrazol(4)yl-carbamic acids, process for their preparation and their application as biocides | BAYER AG (DE) | 1982-01-20 | — | — | EP | disclosed |
| US-4091016-A | Thiosulfenylcarbamoyl halides | UNION CARBIDE CORPORATION (US) | 1978-05-23 | — | — | US | disclosed |
| US-4066689-A | KETOALKANESULFENYLCARBAMOYL AND KETOALKANETHIOSULFENYLCARBAMOYL HALIDES | UNION CARBIDE CORPORATION (US) | 1978-01-03 | — | — | US | disclosed |