⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28034226 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL10822776 | 0.97 | — | — | |
| SCHEMBL12448098 | 0.77 | — | — | |
| SCHEMBL23193203 | 0.74 | CETP (0.32) | — | |
| SCHEMBL4770945 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL10822901 | 0.74 | CHRM1 (0.38) | — | |
| SCHEMBL19629810 | 0.72 | — | — | |
| SCHEMBL3068333 | 0.70 | KDM4E (0.31) | — | |
| SCHEMBL2795931 | 0.67 | — | — | |
| SCHEMBL28303401 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0396709-A4 | HUMAN LEUKOCYTE ELASTASE INHIBITORS AND METHODS OF PRODUCING AND USING SAME | — | 1991-05-22 | — | — | EP | claimed |
| EP-0396709-A1 | HUMAN LEUKOCYTE ELASTASE INHIBITORS AND METHODS OF PRODUCING AND USING SAME | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 1990-11-14 | — | — | EP | claimed |