⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28480431 | 0.97 | ALDH1A1 (0.45) | — | |
| SCHEMBL68311 | 0.97 | — | — | |
| Hydrogen Peroxide SCHEMBL29234918 | 0.93 | — | — | |
| SCHEMBL31387876 | 0.93 | — | — | |
| SCHEMBL28542530 | 0.93 | — | — | |
| Lithium SCHEMBL31309849 | 0.93 | — | — | |
| SCHEMBL31150707 | 0.93 | — | — | |
| SCHEMBL11878270 | 0.93 | — | — | |
| SCHEMBL5551784 | 0.93 | — | — | |
| Water SCHEMBL28532129 | 0.93 | ALDH1A1 (0.43) | — |
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-20110300220-A1 | SOLID CALCIUM LACTATE IN SUBSTANTIALLY SPHERICAL FORM | GALACTIC SA (BE) | 2011-12-08 | — | — | US | disclosed |