⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27927800 | 0.70 | — | — | |
| SCHEMBL19896596 | 0.65 | PYCR1 (0.39) | — | |
| SCHEMBL10763836 | 0.65 | — | — | |
| SCHEMBL11396327 | 0.63 | — | — | |
| SCHEMBL3954128 | 0.63 | — | — | |
| SCHEMBL8594539 | 0.59 | ESR1 (0.35) | — | |
| SCHEMBL65158 | 0.59 | — | — | |
| SCHEMBL1524626 | 0.57 | ESR1 (0.33) | — | |
| SCHEMBL7671023 | 0.57 | TRIM24 (0.31) | — | |
| SCHEMBL1437720 | 0.57 | NOS3 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7323596-B2 | Antibacterial or antiprotozoal activity: formula (1) formula (2) wherein: Z represents a radical of formula N(OH)CH( .dbd. O) or of formula C( .dbd. O)NH(OH); R1 represents hydrogen, methyl or trifluoromethyl, or, except when Z is a radical of | DE NOVO PHARMACEUTICALS LTD. (GB) | 2008-01-29 | — | — | US | claimed |