⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10568808 | 0.73 | — | — | |
| SCHEMBL2992154 | 0.73 | — | — | |
| SCHEMBL14274133 | 0.73 | — | — | |
| SCHEMBL35024 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL10976926 | 0.71 | — | — | |
| Iodide SCHEMBL10971627 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL11632396 | 0.71 | — | — | |
| Bromide SCHEMBL7666619 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL29200121 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL27311325 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015040116-A1 | N-ACYLIMINO HETEROCYCLIC COMPOUNDS | BASF SE (DE) | 2015-03-26 | — | — | WO | disclosed |