⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2111129 | 0.68 | — | — | |
| SCHEMBL311495 | 0.68 | HSP90AA1 (0.45) | — | |
| SCHEMBL29384627 | 0.67 | HSP90AA1 (0.36) | — | |
| SCHEMBL4546154 | 0.67 | HSP90AA1 (0.36) | — | |
| SCHEMBL13175227 | 0.66 | — | — | |
| SCHEMBL10664892 | 0.66 | ACHE (0.37) | — | |
| SCHEMBL17856235 | 0.66 | IMPDH2 (0.34) | — | |
| SCHEMBL11542169 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL24136741 | 0.64 | IMPDH2 (0.37) | — | |
| SCHEMBL31012418 | 0.64 | IMPDH2 (0.37) | — |
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-2010117425-A1 | CERTAIN SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE | BIOGEN IDEC MA INC. (US) | 2010-10-14 | — | — | WO | disclosed |