⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29978 | 0.95 | — | — | |
| Ethyne SCHEMBL1652066 | 0.90 | — | — | |
| SCHEMBL29280194 | 0.90 | — | — | |
| SCHEMBL4858804 | 0.90 | — | — | |
| SCHEMBL17273176 | 0.90 | KDM5B (0.40) | — | |
| Hydrochloric Acid SCHEMBL20242223 | 0.90 | — | — | |
| SCHEMBL8101409 | 0.90 | KDM5B (0.40) | — | |
| SCHEMBL17273189 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL27971665 | 0.90 | — | — | |
| Water SCHEMBL11882064 | 0.90 | — | — |
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-4041154-A | Magnesium-containing pharmaceutical compositions | VERLA-PHARM ARZNEIMITTEL-FABRIK APOTHEKER H. J. V. EHRLICH (DT) | 1977-08-09 | — | — | US | disclosed |