⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27953602 | 0.73 | SLC1A3 (0.33) | — | |
| SCHEMBL966616 | 0.72 | — | — | |
| SCHEMBL12670021 | 0.71 | NQO1 (0.33) | — | |
| SCHEMBL969637 | 0.70 | — | — | |
| SCHEMBL11408694 | 0.70 | NQO1 (0.31) | — | |
| SCHEMBL15137246 | 0.70 | — | — | |
| SCHEMBL19494128 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL1163614 | 0.66 | — | — | |
| SCHEMBL1770998 | 0.66 | — | — | |
| SCHEMBL4088155 | 0.65 | FDPS (0.38) | — |
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-20040011252-A1 | Non-toxic corrosion-protection pigments based on manganese | UNIVERSITY OF DAYTON | 2004-01-22 | — | — | US | disclosed |