⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2452569 | 0.75 | MAPT (0.42) | — | |
| SCHEMBL196234 | 0.75 | — | — | |
| SCHEMBL27262906 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL9455185 | 0.74 | MAPT (0.32) | — | |
| SCHEMBL1456572 | 0.73 | — | — | |
| SCHEMBL9865 | 0.73 | — | — | |
| Water SCHEMBL20657267 | 0.73 | — | — | |
| SCHEMBL14396563 | 0.73 | — | — | |
| SCHEMBL19617368 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL9053480 | 0.73 | — | — |
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-6747024-B1 | INHIBITING CALPAIN AND/OR REACTIVE OXYGEN SPECIES IN WARM-BLOODED ANIMALS | SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) | 2004-06-08 | — | — | US | disclosed |