⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8797086 | 0.83 | — | — | |
| SCHEMBL119321 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL307783 | 0.80 | — | — | |
| Ether SCHEMBL27475425 | 0.67 | — | — | |
| SCHEMBL27977174 | 0.67 | — | — | |
| Propane SCHEMBL20456201 | 0.65 | — | — | |
| Alcohol SCHEMBL28292743 | 0.62 | — | — | |
| SCHEMBL28605789 | 0.60 | — | — | |
| Ethylamine SCHEMBL28452850 | 0.60 | — | — | |
| SCHEMBL7775599 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109761874-A | Preparation process of medical intermediate 4-nitroindole | 代可昕 | 2019-05-17 | — | — | CN | claimed |
| CN-109761874-A | Preparation process of medical intermediate 4-nitroindole | 代可昕 | 2019-05-17 | — | — | CN | disclosed |