⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10108155 | 0.84 | KDM4E (0.33) | — | |
| SCHEMBL10108153 | 0.84 | MAPT (0.32) | — | |
| SCHEMBL10108151 | 0.84 | ATM (0.33) | — | |
| SCHEMBL10108154 | 0.80 | KDM4E (0.34) | — | |
| SCHEMBL13190702 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL13190525 | 0.66 | — | — | |
| SCHEMBL10108281 | 0.63 | GAA (0.35) | — | |
| SCHEMBL10108278 | 0.60 | GAA (0.35) | — | |
| SCHEMBL10102740 | 0.60 | ALDH1A1 (0.44) | — | |
| SCHEMBL10102725 | 0.60 | GAA (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010104406-A1 | PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY | AUCKLAND UNISERVICES LIMITED (NZ) | 2010-09-16 | — | — | WO | disclosed |