⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3262110 | 0.79 | — | — | |
| Diallyl Sulfide SCHEMBL23070593 | 0.79 | ALOX5 (0.61) | — | |
| SCHEMBL5847169 | 0.79 | ALOX5 (0.53) | — | |
| SCHEMBL173833 | 0.77 | — | — | |
| SCHEMBL6738901 | 0.77 | — | — | |
| SCHEMBL3264866 | 0.77 | — | — | |
| SCHEMBL16744069 | 0.77 | — | — | |
| SCHEMBL11262448 | 0.76 | ALOX5 (0.39) | — | |
| SCHEMBL9471474 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL11598999 | 0.75 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4101583-A | Alpha-methylthio-alpha-(2-aminophenyl) acetaldehyde diloweralkyl acetals | THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 1978-07-18 | — | — | US | disclosed |
| US-4080341-A | Carbazolenine and indole compounds | THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 1978-03-21 | — | — | US | disclosed |
| US-4067875-A | Certain N-phenyl or N-pyridyl aza sulfonium salts | THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 1978-01-10 | — | — | US | disclosed |
| US-3992392-A | Synthesis of indoles from anilines and intermediates therein | THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 1976-11-16 | — | — | US | disclosed |