⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9857669 | 0.84 | ABCB11 (0.36) | — | |
| SCHEMBL9857657 | 0.84 | — | — | |
| SCHEMBL9417258 | 0.81 | — | — | |
| SCHEMBL9858063 | 0.80 | — | — | |
| SCHEMBL9857532 | 0.79 | — | — | |
| SCHEMBL9858058 | 0.78 | FGFR1 (0.30) | — | |
| SCHEMBL9858419 | 0.78 | — | — | |
| SCHEMBL9857986 | 0.77 | SLC22A6 (0.45) | — | |
| SCHEMBL9677690 | 0.74 | ACHE (0.30) | — | |
| SCHEMBL9684186 | 0.73 | PTK2 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5055458-A | PURINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY | BEECHAM GROUP P.L.C. (GB) | 1991-10-08 | — | — | US | disclosed |