⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7068466 | 0.81 | LMNA (0.40) | — | |
| SCHEMBL28678342 | 0.72 | — | — | |
| SCHEMBL3593914 | 0.69 | — | — | |
| SCHEMBL1663118 | 0.69 | — | — | |
| SCHEMBL1665407 | 0.69 | — | — | |
| SCHEMBL3348437 | 0.69 | — | — | |
| SCHEMBL9938062 | 0.69 | LMNA (0.52) | — | |
| SCHEMBL44427 | 0.67 | — | — | |
| SCHEMBL21295507 | 0.67 | TSHR (0.32) | — | |
| Hydrochloric Acid SCHEMBL2979638 | 0.67 | — | — |
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-20080269065-A1 | Conformationally Constrained Analytical Probes | SYNTRIX BIOSYSTEMS, INC. (US) | 2008-10-30 | — | — | US | disclosed |