⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1093388 | 1.00 | — | — | |
| SCHEMBL1092657 | 0.93 | — | — | |
| SCHEMBL1092659 | 0.93 | — | — | |
| SCHEMBL16403839 | 0.79 | RAMP1 (0.33) | — | |
| SCHEMBL1690386 | 0.79 | RAMP1 (0.33) | — | |
| SCHEMBL1690385 | 0.79 | RAMP1 (0.33) | — | |
| SCHEMBL1104636 | 0.78 | — | — | |
| SCHEMBL3299064 | 0.78 | — | — | |
| SCHEMBL1093781 | 0.78 | — | — | |
| SCHEMBL1093775 | 0.78 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8153652-B2 | Fab I inhibitors | AFFINIUM PHARMACEUTICALS, INC. (CA) | 2012-04-10 | — | — | US | disclosed |
| US-20120010127-A1 | Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same | BERMAN JUDD M (CA) | 2012-01-12 | — | — | US | disclosed |
| US-20110098277-A1 | Fab I Inhibitors | DEBIOPHARM INTERNATIONAL SA (CH) | 2011-04-28 | — | — | US | disclosed |
| US-7879872-B2 | comprising (E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide or pharmaceutically acceptable salts thereof; and gentamicin; wherein combination has an fractional inhibitory coconcentration index value of 0.3 against S. aureus 29213 | AFFINIUM PHARMACEUTICALS, INC. (CA) | 2011-02-01 | — | — | US | disclosed |