⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3299869 | 0.83 | — | — | |
| Crotonic Acid SCHEMBL30621775 | 0.68 | — | — | |
| SCHEMBL28081632 | 0.66 | — | — | |
| Fumaric Acid SCHEMBL30909567 | 0.66 | TSHR (0.33) | — | |
| SCHEMBL1000160 | 0.65 | TSHR (0.40) | — | |
| SCHEMBL30621768 | 0.65 | PPARA (0.33) | — | |
| SCHEMBL3717654 | 0.64 | — | — | |
| SCHEMBL11312244 | 0.63 | — | — | |
| SCHEMBL8068588 | 0.63 | — | — | |
| SCHEMBL1443160 | 0.63 | — | — |
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-5114851-A | Serine- or cysteine-containing protease modified by nucleophilic cinnamic acid; photoisomerization; biological switches; medical diagnosis | DUKE UNIVERSITY (US) | 1992-05-19 | — | — | US | disclosed |