⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8747193 | 1.00 | — | — | |
| SCHEMBL21648090 | 0.86 | POLB (0.33) | — | |
| SCHEMBL8747334 | 0.74 | TLR4 (0.32) | — | |
| SCHEMBL68915 | 0.68 | TSHR (0.33) | — | |
| SCHEMBL2807157 | 0.68 | TSHR (0.33) | — | |
| SCHEMBL19743821 | 0.67 | — | — | |
| SCHEMBL21648209 | 0.64 | FOLH1 (0.42) | — | |
| SCHEMBL21648235 | 0.64 | GABRP (0.39) | — | |
| SCHEMBL69554 | 0.64 | KDM4E (0.34) | — | |
| SCHEMBL28613071 | 0.64 | KDM4E (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-1992004353-A1 | CEPHALOSPORIN DERIVATIVES AND THEIR HOMOLOGUES | BEECHAM GROUP PLC (GB) | 1992-03-19 | — | — | WO | disclosed |