⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL819489 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL14741222 | 0.74 | EGLN1 (0.37) | — | |
| SCHEMBL15049363 | 0.64 | — | — | |
| SCHEMBL15049364 | 0.64 | — | — | |
| SCHEMBL31025958 | 0.64 | — | — | |
| SCHEMBL16963142 | 0.62 | EGLN1 (0.72) | — | |
| SCHEMBL28180462 | 0.60 | — | — | |
| SCHEMBL10917520 | 0.59 | — | — | |
| SCHEMBL9234298 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL1017781 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110049758-B | Magnesium picolinate compositions and methods of use thereof | JDS治疗有限公司 | 2022-03-11 | — | — | CN | disclosed |