⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19915591 | 0.78 | CYP17A1 (0.32) | — | |
| SCHEMBL22043762 | 0.65 | — | — | |
| SCHEMBL19915556 | 0.65 | ADK (0.33) | — | |
| SCHEMBL22043729 | 0.64 | KMT2A (0.33) | — | |
| SCHEMBL18425754 | 0.57 | NOS1 (0.33) | — | |
| SCHEMBL19899676 | 0.57 | TDP1 (0.43) | — | |
| SCHEMBL22966311 | 0.54 | CSNK2A2 (0.39) | — | |
| SCHEMBL3955060 | 0.53 | FLT1 (0.33) | — | |
| SCHEMBL6779325 | 0.53 | MAPT (0.40) | — | |
| SCHEMBL18464844 | 0.53 | POLB (0.42) | — |
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-2018038667-A1 | RESPIRATORY SYNCYTIAL VIRUS INHIBITORS | MEDIVIR AB (SE) | 2018-03-01 | — | — | WO | disclosed |