⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2121893 | 0.75 | FDPS (0.33) | — | |
| SCHEMBL2121261 | 0.74 | GABRP (0.33) | — | |
| SCHEMBL3392396 | 0.74 | TET2 (0.36) | — | |
| SCHEMBL17512919 | 0.70 | KDM4C (0.42) | — | |
| N,N-Dimethylethanaminium SCHEMBL447224 | 0.69 | FFAR3 (0.40) | — | |
| SCHEMBL1022906 | 0.69 | — | — | |
| SCHEMBL5084376 | 0.69 | MMP1 (0.33) | — | |
| Trimethylammonium SCHEMBL29766120 | 0.68 | HDAC3 (0.43) | — | |
| Trimethylammonium SCHEMBL180002 | 0.68 | HDAC3 (0.43) | — | |
| SCHEMBL3389030 | 0.68 | TET2 (0.34) | — |
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-2002024773-A2 | BRANCHED POLYMERS, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE | BASF AKTIENGESELLSCHAFT (DE) | 2002-03-28 | — | — | WO | disclosed |