⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL734255 | 0.73 | — | — | |
| SCHEMBL2222360 | 0.73 | TRPV6 (0.47) | — | |
| SCHEMBL1265111 | 0.73 | TRPV6 (0.47) | — | |
| SCHEMBL115344 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL4947799 | 0.71 | ORAI1 (0.45) | — | |
| Water SCHEMBL27698489 | 0.71 | ORAI1 (0.45) | — | |
| SCHEMBL7703415 | 0.71 | ORAI1 (0.45) | — | |
| Fluoride SCHEMBL28319615 | 0.71 | TRPV6 (0.45) | — | |
| Ammonia Solution, Strong SCHEMBL9783453 | 0.71 | TRPV6 (0.45) | — | |
| Toluene SCHEMBL27993599 | 0.71 | ACHE (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 |
|---|---|---|---|---|---|---|---|
| EP-0452858-A2 | Metal complexes of acid adducts to dioxime ligands useful in labelling proteins and other amine-containing compounds | BRACCO INTERNATIONAL B.V. (NL) | 1991-10-23 | — | — | EP | claimed |