⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1081722 | 1.00 | — | — | |
| SCHEMBL29465230 | 0.88 | MAPK1 (0.30) | — | |
| SCHEMBL18820173 | 0.74 | GRM2 (0.33) | — | |
| SCHEMBL20888683 | 0.74 | GRM2 (0.33) | — | |
| SCHEMBL17840990 | 0.68 | — | — | |
| SCHEMBL1403672 | 0.68 | IDUA (0.37) | — | |
| SCHEMBL18585679 | 0.68 | IDUA (0.37) | — | |
| SCHEMBL9655087 | 0.65 | CA12 (0.34) | — | |
| SCHEMBL7859611 | 0.65 | FDFT1 (0.33) | — | |
| SCHEMBL3383999 | 0.64 | APLNR (0.31) | — |
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-2003087165-A2 | BIOCOMPATIBLE MATERIALS AND PROBES | CARBOMER, INC. (US) | 2003-10-23 | — | — | WO | disclosed |