⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13772908 | 0.85 | — | — | |
| SCHEMBL14905170 | 0.76 | — | — | |
| SCHEMBL14905171 | 0.70 | — | — | |
| SCHEMBL12767117 | 0.70 | ACHE (0.32) | — | |
| SCHEMBL17689261 | 0.66 | — | — | |
| SCHEMBL24673959 | 0.62 | — | — | |
| SCHEMBL12341637 | 0.60 | ACHE (0.40) | — | |
| SCHEMBL15828411 | 0.58 | — | — | |
| SCHEMBL9229414 | 0.56 | — | — | |
| SCHEMBL21295443 | 0.55 | — | — |
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-20140357898-A1 | NOVEL POLYMERS | BASF SE (DE) | 2014-12-04 | — | — | US | disclosed |