⚠ 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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL9795276 | 0.74 | ALDH1A1 (0.32) | — | |
| Fumaric Acid SCHEMBL9795311 | 0.71 | — | — | |
| SCHEMBL9795064 | 0.69 | GAA (0.36) | — | |
| SCHEMBL5940256 | 0.69 | MEN1 (0.46) | — | |
| SCHEMBL9795246 | 0.68 | MAPT (0.32) | — | |
| Hydrochloric Acid SCHEMBL23001647 | 0.67 | KDM4E (0.32) | — | |
| SCHEMBL11039351 | 0.67 | ALDH1A1 (0.44) | — | |
| SCHEMBL9343726 | 0.67 | CYP2D6 (0.34) | — | |
| SCHEMBL10460050 | 0.67 | PDCD1LG2 (0.32) | — | |
| SCHEMBL28308562 | 0.66 | DPP4 (0.38) | — |
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-5037849-A | For treatment of heart and circulatory diseases | BOEHRINGER MANNHEIM GMBH (DE) | 1991-08-06 | — | — | US | disclosed |