⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15661377 | 0.89 | TLR4 (0.33) | — | |
| SCHEMBL28447016 | 0.81 | TLR4 (0.33) | — | |
| SCHEMBL31425657 | 0.72 | — | — | |
| SCHEMBL9813810 | 0.69 | TLR4 (0.33) | — | |
| SCHEMBL31425655 | 0.68 | — | — | |
| SCHEMBL29176239 | 0.63 | — | — | |
| SCHEMBL14034413 | 0.63 | — | — | |
| SCHEMBL5175094 | 0.63 | TLR4 (0.50) | — | |
| SCHEMBL11843793 | 0.61 | — | — | |
| SCHEMBL28617734 | 0.61 | — | — |
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-113321609-B | Method for synthesizing 4-hydroxyindole | 大连蒙迪科技有限公司 | 2022-07-29 | — | — | CN | disclosed |
| CN-113321609-A | Method for synthesizing 4-hydroxyindole | 大连蒙迪科技有限公司 | 2021-08-31 | — | — | CN | disclosed |