⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL919949 | 0.80 | — | — | |
| SCHEMBL128556 | 0.80 | — | — | |
| SCHEMBL921094 | 0.80 | — | — | |
| SCHEMBL6246782 | 0.78 | — | — | |
| SCHEMBL6371501 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL1457002 | 0.77 | — | — | |
| SCHEMBL23522654 | 0.75 | ALDH1A1 (0.44) | — | |
| Hydrochloric Acid SCHEMBL31647675 | 0.75 | — | — | |
| SCHEMBL3683163 | 0.72 | — | — | |
| SCHEMBL5178799 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0819000-B1 | NODULISPORIC ACID DERIVATIVES | MERCK & CO INC (US) | 2009-07-08 | — | — | EP | disclosed |