⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL213131 | 0.63 | MAPT (0.38) | — | |
| SCHEMBL5530224 | 0.58 | MAPT (0.42) | — | |
| SCHEMBL5270797 | 0.55 | — | — | |
| SCHEMBL8050154 | 0.55 | — | — | |
| SCHEMBL4935894 | 0.53 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL8692424 | 0.53 | MAPT (0.31) | — | |
| SCHEMBL18685897 | 0.52 | ALDH1A1 (0.32) | — | |
| SCHEMBL7213681 | 0.51 | MAPT (0.39) | — | |
| SCHEMBL17555020 | 0.51 | INMT (0.31) | — | |
| SCHEMBL29883035 | 0.50 | — | — |
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-20020112836-A1 | Structurally rigid polymer coagulants as retention and drainage aids in papermaking | ECOLAB USA INC. | 2002-08-22 | — | — | US | disclosed |