⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29307240 | 0.78 | — | — | |
| SCHEMBL9980185 | 0.78 | — | — | |
| SCHEMBL29256343 | 0.78 | LMNA (0.38) | — | |
| SCHEMBL20910321 | 0.74 | — | — | |
| SCHEMBL2706044 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL20899159 | 0.72 | OPRM1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL20899240 | 0.72 | OPRM1 (0.39) | — | |
| SCHEMBL25360919 | 0.71 | — | — | |
| SCHEMBL1171597 | 0.71 | — | — | |
| SCHEMBL14861909 | 0.70 | — | — |
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-10323000-B2 | Indole derivatives and their use in neurodegenerative diseases | MERCK PATENT GMBH (DE) | 2019-06-18 | — | — | US | disclosed |