⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15841134 | 0.74 | GAA (0.33) | — | |
| SCHEMBL17359597 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL16640066 | 0.72 | GAA (0.36) | — | |
| SCHEMBL16377088 | 0.72 | GAA (0.31) | — | |
| SCHEMBL17863951 | 0.71 | MAPT (0.35) | — | |
| SCHEMBL17359539 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL16644530 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL15841115 | 0.69 | — | — | |
| SCHEMBL18877289 | 0.67 | ABCB1 (0.30) | — | |
| SCHEMBL16377091 | 0.66 | ALDH1A1 (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-20150366887-A1 | SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF | Janssen Pharmaceuticals, Inc. | 2015-12-24 | — | — | US | disclosed |