⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4454211 | 1.00 | — | — | |
| SCHEMBL8263135 | 1.00 | — | — | |
| Propane SCHEMBL11820675 | 0.91 | AKR1B1 (0.46) | — | |
| Cyclohexane SCHEMBL11820318 | 0.89 | AKR1B1 (0.43) | — | |
| Aziridine SCHEMBL11822128 | 0.87 | AKR1B1 (0.42) | — | |
| Sulfurous Acid SCHEMBL9484041 | 0.83 | AKR1B1 (0.39) | — | |
| SCHEMBL11832272 | 0.79 | AKR1B1 (0.36) | — | |
| SCHEMBL7194481 | 0.79 | — | — | |
| SCHEMBL9701334 | 0.77 | — | — | |
| SCHEMBL707905 | 0.75 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100280018-A1 | Derivatives Of Hydroxamic Acid As Metalloproteinase Inhibitors | LABORATOIRES SERONO S.A. (CH) | 2010-11-04 | — | — | US | disclosed |
| US-7786121-B2 | Derivatives of hydroxamic acid as metalloproteinase inhibitors | VERNALIS (OXFORD) LIMITED (GB) | 2010-08-31 | — | — | US | disclosed |
| US-20100035943-A1 | Oxa-and thiadiazoles and their use as metalloproteinase inhibitors | VERNALIS (OXFORD) LTD (GB) | 2010-02-11 | — | — | US | disclosed |