⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20087061 | 0.79 | — | — | |
| SCHEMBL20087093 | 0.71 | — | — | |
| SCHEMBL20087062 | 0.69 | — | — | |
| SCHEMBL19798784 | 0.65 | CA2 (0.33) | — | |
| SCHEMBL18118970 | 0.64 | — | — | |
| SCHEMBL20087066 | 0.63 | — | — | |
| SCHEMBL13444940 | 0.61 | USP2 (0.31) | — | |
| SCHEMBL14084517 | 0.59 | — | — | |
| SCHEMBL20087097 | 0.59 | — | — | |
| SCHEMBL10096766 | 0.59 | — | — |
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-20120129846-A1 | GAMMA SECRETASE MODULATORS | Merck, Sharp & Dohme, Corp. | 2012-05-24 | — | — | US | disclosed |