⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2008850 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL4007389 | 0.76 | CA1 (0.38) | — | |
| SCHEMBL2010127 | 0.74 | CA1 (0.44) | — | |
| SCHEMBL19201239 | 0.74 | — | — | |
| SCHEMBL6263448 | 0.74 | — | — | |
| SCHEMBL5787212 | 0.74 | — | — | |
| SCHEMBL9233467 | 0.74 | — | — | |
| SCHEMBL779252 | 0.74 | — | — | |
| SCHEMBL7398952 | 0.72 | — | — | |
| SCHEMBL7432483 | 0.72 | RELA (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2694505-B1 | HSP90 INHIBITORS | SLOAN KETTERING INST CANCER RES (US) | 2022-04-27 | — | — | EP | disclosed |