⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8631401 | 0.83 | SIRT2 (0.32) | — | |
| SCHEMBL9070356 | 0.80 | LIPG (0.44) | — | |
| SCHEMBL9466495 | 0.78 | THRA (0.41) | — | |
| SCHEMBL28102473 | 0.76 | CYP2D6 (0.40) | — | |
| SCHEMBL2876410 | 0.73 | LIPG (0.38) | — | |
| SCHEMBL2878774 | 0.73 | LIPG (0.38) | — | |
| SCHEMBL2878200 | 0.73 | LIPG (0.38) | — | |
| SCHEMBL23604707 | 0.73 | FOLH1 (0.34) | — | |
| SCHEMBL17221088 | 0.73 | TKT (0.34) | — | |
| SCHEMBL2876025 | 0.71 | LIPG (0.35) | — |
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-4119581-A | Membrane consisting of polyquaternary amine ion exchange polymer network interpenetrating the chains of thermoplastic matrix polymer | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1978-10-10 | — | — | US | disclosed |