⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11067357 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL11003762 | 0.80 | — | — | |
| SCHEMBL11416316 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL2181356 | 0.68 | ALDH1A1 (0.32) | — | |
| Fluoride SCHEMBL11047622 | 0.67 | ALDH1A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL11712572 | 0.67 | ALDH1A1 (0.30) | — | |
| Fluoride SCHEMBL11819271 | 0.67 | — | — | |
| SCHEMBL11496852 | 0.65 | — | — | |
| SCHEMBL28706133 | 0.65 | — | — | |
| SCHEMBL10915764 | 0.64 | ALDH1A1 (0.33) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4305957-A | N-(2-Isobutyronitrilesulfenyl)-N-methyl carbamates and their use in combating insect pests | CIBA-GEIGY CORPORATION (US) | 1981-12-15 | — | — | US | claimed |
| EP-0024257-B1 | N-(2-ISOBUTYRONITRILE SULFENYL)-N-METHYL-OXIME CARBAMATES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES | CIBA-GEIGY AG (CH) | 1983-12-14 | — | — | EP | disclosed |
| US-4305957-A | N-(2-Isobutyronitrilesulfenyl)-N-methyl carbamates and their use in combating insect pests | CIBA-GEIGY CORPORATION (US) | 1981-12-15 | — | — | US | disclosed |
| US-4305957-A | N-(2-Isobutyronitrilesulfenyl)-N-methyl carbamates and their use in combating insect pests | CIBA-GEIGY CORPORATION (US) | 1981-12-15 | — | — | US | disclosed |
| US-4305957-A | N-(2-Isobutyronitrilesulfenyl)-N-methyl carbamates and their use in combating insect pests | CIBA-GEIGY CORPORATION (US) | 1981-12-15 | — | — | US | disclosed |
| EP-0025014-A1 | N-(2-Isobutyronitrilesulfenyl)-N-methyl carbamates, processes for their preparation, their use in pest control and pesticides containing them | CIBA-GEIGY AG (CH) | 1981-03-11 | — | — | EP | disclosed |
| EP-0024257-A2 | N-(2-isobutyronitrile sulfenyl)-N-methyl-oxime carbamates, process for their preparation and their use as pesticides | CIBA-GEIGY AG (CH) | 1981-02-25 | — | — | EP | disclosed |