⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL492258 | 0.78 | TSHR (0.52) | — | |
| Hydrochloric Acid SCHEMBL27794104 | 0.76 | TSHR (0.50) | — | |
| SCHEMBL13630759 | 0.75 | LOXL2 (0.42) | — | |
| SCHEMBL13630755 | 0.74 | LOXL2 (0.46) | — | |
| SCHEMBL1145302 | 0.74 | — | — | |
| SCHEMBL1521082 | 0.74 | — | — | |
| SCHEMBL18513372 | 0.74 | — | — | |
| SCHEMBL17132267 | 0.74 | LOXL2 (0.46) | — | |
| SCHEMBL791964 | 0.74 | — | — | |
| SCHEMBL12509541 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019180653-A1 | COMPOSITIONS, MATERIALS, AND METHODS FOR DEACTIVATING TOXIC AGENTS | INSTITUTE FOR STEM CELL BIOLOGY AND REGENERATIVE MEDICINE (INSTEM) (IN) | 2019-09-26 | — | — | WO | disclosed |