⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18720989 | 1.00 | — | — | |
| SCHEMBL27009541 | 1.00 | — | — | |
| SCHEMBL26062934 | 1.00 | — | — | |
| SCHEMBL18721043 | 1.00 | — | — | |
| SCHEMBL18668103 | 0.94 | PABPC1 (0.42) | — | |
| SCHEMBL14639684 | 0.94 | PABPC1 (0.42) | — | |
| SCHEMBL25740918 | 0.94 | PABPC1 (0.42) | — | |
| SCHEMBL11430871 | 0.94 | PABPC1 (0.42) | — | |
| SCHEMBL14639697 | 0.94 | PABPC1 (0.42) | — | |
| SCHEMBL4141863 | 0.85 | — | — |
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-2007111954-A2 | PURINE COMPOUNDS AND METHODS OF USE THEREOF | INOTEK PHAMACEUTICALS CORPORATION (US) | 2007-10-04 | — | — | WO | disclosed |