⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2471003 | 0.82 | GRIN1 (0.42) | — | |
| SCHEMBL7070555 | 0.81 | GRIN1 (0.35) | — | |
| SCHEMBL2471911 | 0.80 | GRIN1 (0.39) | — | |
| SCHEMBL2471363 | 0.80 | GRIN1 (0.39) | — | |
| SCHEMBL7070503 | 0.80 | TK1 (0.30) | — | |
| SCHEMBL7071887 | 0.80 | MEN1 (0.32) | — | |
| SCHEMBL2469750 | 0.79 | GRIN1 (0.38) | — | |
| SCHEMBL6086546 | 0.76 | TPH1 (0.34) | — | |
| SCHEMBL7070188 | 0.76 | — | — | |
| SCHEMBL7072203 | 0.75 | PKM (0.30) | — |
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-0827498-B1 | NEW ANTIVIRAL SUBSTITUTED PYRIMIDINEDIONE HOMOCARBOCYCLIC NUCLEOSIDE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENTS | SAMJIN PHARM CO LTD (KR) | 2003-06-18 | — | — | EP | disclosed |