⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11788430 | 0.86 | — | — | |
| SCHEMBL11786815 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL11742850 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL11739139 | 0.79 | — | — | |
| SCHEMBL11787480 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL11745738 | 0.78 | — | — | |
| SCHEMBL11737259 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL11326990 | 0.77 | CCNC (0.35) | — | |
| Hydrochloric Acid SCHEMBL11742094 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL11632282 | 0.75 | — | — |
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-3947462-A | 2,4,7-substituted 5-hydroxy benzopyrans and esters | ABBOTT LABORATORIES (US) | 1976-03-30 | — | — | US | disclosed |