⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL692314 | 0.79 | ACE (0.39) | — | |
| SCHEMBL5875880 | 0.74 | — | — | |
| SCHEMBL35532 | 0.73 | AR (0.32) | — | |
| SCHEMBL9724327 | 0.73 | ACE (0.32) | — | |
| SCHEMBL28156875 | 0.73 | KDM4E (0.30) | — | |
| SCHEMBL952662 | 0.72 | FAAH (0.32) | — | |
| Hydrochloric Acid SCHEMBL30940345 | 0.72 | AR (0.32) | — | |
| SCHEMBL7561076 | 0.70 | FAAH (0.32) | — | |
| SCHEMBL3365506 | 0.70 | — | — | |
| SCHEMBL21449079 | 0.70 | FAAH (0.35) | — |
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-6986855-B1 | Structural and optical applications for shape memory polymers (SMP) | CORNERSTONE RESEARCH GROUP (US) | 2006-01-17 | — | — | US | disclosed |