⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5712403 | 0.84 | MAPT (0.42) | — | |
| SCHEMBL24414474 | 0.83 | TDP1 (0.39) | — | |
| SCHEMBL26950788 | 0.83 | TDP1 (0.39) | — | |
| SCHEMBL31690837 | 0.83 | TDP1 (0.39) | — | |
| SCHEMBL5439857 | 0.82 | — | — | |
| SCHEMBL11783608 | 0.82 | — | — | |
| SCHEMBL23754251 | 0.82 | CYP19A1 (0.52) | — | |
| SCHEMBL110032 | 0.80 | — | — | |
| SCHEMBL1245755 | 0.78 | ALDH1A1 (0.48) | — | |
| SCHEMBL18026483 | 0.78 | MGAM (0.48) | — |
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-20110287102-A1 | CHAIN EXTENDERS | POLYNOVO BIOMATERIALS PTY LIMITED (AU) | 2011-11-24 | — | — | US | disclosed |