⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11815750 | 0.82 | — | — | |
| SCHEMBL11809259 | 0.82 | TAAR1 (0.32) | — | |
| SCHEMBL11806003 | 0.76 | ADRB2 (0.42) | — | |
| Hydrochloric Acid SCHEMBL11810975 | 0.74 | ADRB2 (0.41) | — | |
| SCHEMBL11809452 | 0.72 | ADRB2 (0.33) | — | |
| SCHEMBL20666014 | 0.70 | — | — | |
| Oxalic Acid SCHEMBL11816926 | 0.70 | ADRB2 (0.38) | — | |
| Lactic Acid SCHEMBL11809857 | 0.69 | ADRB2 (0.40) | — | |
| SCHEMBL11810238 | 0.69 | ADRB2 (0.38) | — | |
| SCHEMBL14962449 | 0.68 | KDM4E (0.37) | — |
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-3954871-A | ANTIARRHYTHMIA, VASODILATOR, HYPOTENSIVE | CONTINENTAL PHARMA (BE) | 1976-05-04 | — | — | US | disclosed |