⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5987704 | 0.87 | — | — | |
| SCHEMBL28208012 | 0.81 | OPRM1 (0.30) | — | |
| SCHEMBL18091703 | 0.78 | — | — | |
| SCHEMBL17818940 | 0.78 | SLC6A4 (0.31) | — | |
| SCHEMBL18256184 | 0.78 | OPRM1 (0.33) | — | |
| SCHEMBL17834090 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL17818921 | 0.76 | SLC6A4 (0.30) | — | |
| SCHEMBL27258809 | 0.76 | — | — | |
| SCHEMBL8266336 | 0.76 | — | — | |
| SCHEMBL8252953 | 0.76 | — | — |
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-20160168090-A1 | NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES | MERCK PATENT GMBH (DE) | 2016-06-16 | — | — | US | disclosed |