⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18487759 | 0.78 | — | — | |
| SCHEMBL16976260 | 0.75 | — | — | |
| SCHEMBL18803431 | 0.73 | — | — | |
| SCHEMBL4406928 | 0.71 | MAPT (0.33) | — | |
| SCHEMBL2982491 | 0.71 | MAPT (0.33) | — | |
| SCHEMBL2984810 | 0.71 | MAPT (0.33) | — | |
| SCHEMBL13893106 | 0.71 | BCHE (0.40) | — | |
| SCHEMBL17068805 | 0.67 | — | — | |
| SCHEMBL802175 | 0.66 | CYP4F2 (0.33) | — | |
| SCHEMBL18253433 | 0.66 | HMGCR (0.32) | — |
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-20180022880-A1 | FILM | TEIJIN LIMITED (JP) | 2018-01-25 | — | — | US | disclosed |