⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1194170 | 0.99 | — | — | |
| SCHEMBL6595709 | 0.82 | ALDH1A1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL1194041 | 0.81 | ALDH1A1 (0.38) | — | |
| SCHEMBL6599195 | 0.79 | ACHE (0.32) | — | |
| Hydrochloric Acid SCHEMBL1194171 | 0.78 | ACHE (0.32) | — | |
| SCHEMBL6598073 | 0.77 | ALDH1A1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL1194173 | 0.77 | ALDH1A1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL6599921 | 0.75 | LMNA (0.34) | — | |
| SCHEMBL6596219 | 0.75 | MAPT (0.35) | — | |
| SCHEMBL6596187 | 0.74 | KMT2A (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 |
|---|---|---|---|---|---|---|---|
| EP-1373263-B1 | HETEROCYCLIC COMPOUNDS FOR AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS | TORRENT PHARMACEUTICALS LTD (IN) | 2004-10-27 | — | — | EP | claimed |