⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10470575 | 0.59 | ALDH1A1 (0.30) | — | |
| Diethyl Sulfide SCHEMBL27724182 | 0.51 | — | — | |
| Diethyl Sulfide SCHEMBL8751214 | 0.51 | — | — | |
| SCHEMBL12930420 | 0.50 | FUCA1 (0.37) | — | |
| Diethyl Sulfide SCHEMBL11503638 | 0.49 | — | — | |
| Diethyl Sulfide SCHEMBL28157018 | 0.49 | TDP1 (0.40) | — | |
| SCHEMBL23578920 | 0.49 | TSHR (0.32) | — | |
| SCHEMBL22033818 | 0.49 | GBA1 (0.36) | — | |
| Diethyl Sulfide SCHEMBL27280446 | 0.48 | — | — | |
| SCHEMBL7724048 | 0.48 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4965368-A | USED FOR THIOLCARBAMATES | ICI AMERICAS INC. (US) | 1990-10-23 | — | — | US | disclosed |
| EP-0021759-B1 | 5-SUBSTITUTED OXAZOLIDINES HAVING HERBICIDE ANTIDOTE ACTIVITY, PRODUCTION THEREOF, HERBICIDAL COMPOSITIONS CONTAINING THEM, USE THEREOF IN PREVENTING INJURY TO CROPS AND CROP SEEDS COATED THEREWITH | STAUFFER CHEMICAL COMPANY (US) | 1984-09-26 | — | — | EP | disclosed |
| EP-0021759-A1 | 5-Substituted oxazolidines having herbicide antidote activity, production thereof, herbicidal compositions containing them, use thereof in preventing injury to crops and crop seeds coated therewith | STAUFFER CHEMICAL COMPANY (US) | 1981-01-07 | — | — | EP | disclosed |