⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13302784 | 0.85 | ALDH1A1 (0.39) | — | |
| SCHEMBL10614107 | 0.82 | ALDH1A1 (0.30) | — | |
| SCHEMBL10573475 | 0.80 | HTT (0.42) | — | |
| SCHEMBL8446954 | 0.80 | ALDH1A1 (0.38) | — | |
| SCHEMBL9578934 | 0.80 | ALDH1A1 (0.41) | — | |
| SCHEMBL10569631 | 0.80 | ALDH1A1 (0.45) | — | |
| SCHEMBL10573741 | 0.79 | AOC3 (0.34) | — | |
| SCHEMBL10569524 | 0.76 | CYP3A4 (0.39) | — | |
| SCHEMBL6855352 | 0.75 | NPC1 (0.31) | — | |
| SCHEMBL13021621 | 0.74 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4866209-A | Poly(hydrocarbylthio)anilines | ETHYL CORPORATION (US) | 1989-09-12 | — | — | US | claimed |
| EP-0169101-B1 | PROCESS FOR PREPARING (HYDROCARBYLTHIO)CYCLIC AMINES | ETHYL CORPORATION (US) | 1988-08-24 | — | — | EP | claimed |
| EP-0169101-A1 | Process for preparing (hydrocarbylthio)cyclic amines | ETHYL CORPORATION (US) | 1986-01-22 | — | — | EP | claimed |
| US-4866209-A | Poly(hydrocarbylthio)anilines | ETHYL CORPORATION (US) | 1989-09-12 | — | — | US | disclosed |
| US-4594453-A | Reacting hydrocarbyl disulfide with aromatic amine | ETHYL CORPORATION (US) | 1986-06-10 | — | — | US | disclosed |