⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL585119 | 0.85 | ANPEP (0.48) | — | |
| SCHEMBL24965252 | 0.79 | CACNA2D1 (0.47) | — | |
| SCHEMBL13851759 | 0.79 | CACNA2D1 (0.47) | — | |
| SCHEMBL10065846 | 0.79 | CACNA2D1 (0.47) | — | |
| SCHEMBL19357452 | 0.78 | — | — | |
| SCHEMBL8552035 | 0.78 | — | — | |
| SCHEMBL12118194 | 0.76 | ANPEP (0.42) | — | |
| SCHEMBL29300085 | 0.76 | ANPEP (0.42) | — | |
| SCHEMBL805253 | 0.74 | ANPEP (0.41) | — | |
| SCHEMBL13851760 | 0.74 | ANPEP (0.41) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100291533-A1 | INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT | LG LIFE SCIENCES LTD. (KR) | 2010-11-18 | — | — | US | disclosed |