⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8009230 | 0.79 | KMT2A (0.31) | — | |
| SCHEMBL668904 | 0.79 | KMT2A (0.31) | — | |
| SCHEMBL883057 | 0.79 | KMT2A (0.31) | — | |
| SCHEMBL8272281 | 0.77 | CA1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL4601840 | 0.77 | KMT2A (0.30) | — | |
| SCHEMBL8130074 | 0.77 | KMT2A (0.33) | — | |
| SCHEMBL12207984 | 0.76 | CA12 (0.41) | — | |
| SCHEMBL8141091 | 0.76 | — | — | |
| SCHEMBL8275843 | 0.75 | — | — | |
| SCHEMBL883038 | 0.75 | — | — |
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-2007121125-A2 | HCV INHIBITORS | NOVARTIS AG (CH) | 2007-10-25 | — | — | WO | disclosed |