⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21396406 | 0.85 | — | — | |
| SCHEMBL21396494 | 0.83 | — | — | |
| SCHEMBL21396524 | 0.70 | RAB9A (0.36) | — | |
| SCHEMBL21396464 | 0.69 | TDP1 (0.39) | — | |
| SCHEMBL23921197 | 0.68 | ADORA2A (0.39) | — | |
| SCHEMBL21396468 | 0.65 | PNP (0.33) | — | |
| SCHEMBL23921056 | 0.64 | ADORA2A (0.36) | — | |
| SCHEMBL21396384 | 0.64 | TLR7 (0.35) | — | |
| SCHEMBL23920932 | 0.63 | ADORA2A (0.32) | — | |
| SCHEMBL21396473 | 0.58 | ADORA3 (0.40) | — |
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-20190292214-A1 | NEW EQUATORIALLY MODIFIED POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES | MIRECA MEDICINES GMBH (DE) | 2019-09-26 | — | — | US | disclosed |