⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22012928 | 0.78 | — | — | |
| SCHEMBL12234876 | 0.67 | OPRM1 (0.31) | — | |
| SCHEMBL16305039 | 0.62 | ALPL (0.31) | — | |
| SCHEMBL16984278 | 0.62 | — | — | |
| SCHEMBL14079221 | 0.60 | — | — | |
| SCHEMBL29414201 | 0.59 | — | — | |
| SCHEMBL2010663 | 0.59 | — | — | |
| SCHEMBL13326775 | 0.59 | — | — | |
| SCHEMBL18459769 | 0.56 | — | — | |
| Hydrochloric Acid SCHEMBL14697303 | 0.56 | — | — |
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-20120107328-A1 | GAMMA SECRETASE MODULATORS | MERCK SHARP & DOHME CORP. | 2012-05-03 | — | — | US | disclosed |