⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12874165 | 0.85 | — | — | |
| SCHEMBL14019570 | 0.85 | — | — | |
| SCHEMBL22923509 | 0.79 | — | — | |
| SCHEMBL7800989 | 0.74 | — | — | |
| SCHEMBL8291026 | 0.74 | — | — | |
| SCHEMBL27439986 | 0.73 | — | — | |
| SCHEMBL26805749 | 0.73 | — | — | |
| SCHEMBL24230532 | 0.72 | — | — | |
| SCHEMBL10120394 | 0.69 | ALDH1A1 (0.34) | — | |
| SCHEMBL21341484 | 0.69 | ALDH1A1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120190832-A1 | LOW-MOLECULAR SERINE PROTEASES INHIBITORS COMPRISING POLYHYDROXY-ALKYL AND POLYHYDROXY-CYCLOALKYL RADICALS | ABBOTT GMBH & CO. KG (DE) | 2012-07-26 | — | — | US | disclosed |
| US-20110071285-A1 | LOW-MOLECULAR SERINE PROTEASES INHIBITORS COMPRISING POLYHYDROXY-ALKYL AND POLYHYDROXY-CYCLOALKYL RADICALS | ABBOTT GMBH & CO. KG (DE) | 2011-03-24 | — | — | US | disclosed |