⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13460691 | 0.90 | USP2 (0.45) | — | |
| SCHEMBL7668734 | 0.88 | PLD1 (0.47) | — | |
| Iodide SCHEMBL30171697 | 0.86 | PLD1 (0.45) | — | |
| SCHEMBL9493557 | 0.84 | ADRA2A (0.44) | — | |
| SCHEMBL17912452 | 0.84 | CHRNA7 (0.39) | — | |
| SCHEMBL10316248 | 0.82 | ROCK2 (0.40) | — | |
| SCHEMBL960885 | 0.82 | — | — | |
| SCHEMBL13512334 | 0.81 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL17912457 | 0.81 | KDM2B (0.40) | — | |
| SCHEMBL30645717 | 0.80 | — | — |
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-1995018159-A1 | ION EXCHANGE RESINS | MONTECH PTY. LTD. (AU) | 1995-07-06 | — | — | WO | disclosed |