⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9828821 | 0.89 | — | — | |
| SCHEMBL10624767 | 0.64 | — | — | |
| SCHEMBL11996425 | 0.62 | MAP3K14 (0.39) | — | |
| Hydrochloric Acid SCHEMBL15546671 | 0.60 | MAP3K14 (0.38) | — | |
| Hydrochloric Acid SCHEMBL15546474 | 0.59 | MAP3K14 (0.36) | — | |
| SCHEMBL4591427 | 0.55 | MAPT (0.38) | — | |
| SCHEMBL11048353 | 0.54 | — | — | |
| SCHEMBL7422033 | 0.52 | — | — | |
| SCHEMBL6458899 | 0.50 | SHBG (0.33) | — | |
| SCHEMBL14791326 | 0.50 | SHBG (0.33) | — |
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-0483928-A1 | 2-Saccharinylmethyl aryl carboxylates useful as proteolytic enzyme inhibitors and compositions and method of use | STERLING WINTHROP INC. (US) | 1992-05-06 | — | — | EP | disclosed |