⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17486580 | 0.88 | — | — | |
| SCHEMBL14853493 | 0.88 | HDAC11 (0.33) | — | |
| SCHEMBL14853447 | 0.86 | BDKRB1 (0.41) | — | |
| SCHEMBL13995 | 0.82 | BDKRB1 (0.34) | — | |
| SCHEMBL14125 | 0.82 | ALDH1A1 (0.36) | — | |
| SCHEMBL17354286 | 0.80 | S1PR1 (0.33) | — | |
| SCHEMBL13711 | 0.80 | PLK4 (0.32) | — | |
| SCHEMBL14850243 | 0.79 | RET (0.34) | — | |
| SCHEMBL14141 | 0.78 | RAB9A (0.35) | — | |
| SCHEMBL14184 | 0.78 | MAP4K4 (0.40) | — |
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-9216979-B2 | Antimicrobial compounds and methods of making and using the same | MELINTA THERAPEUTICS, INC. (US) | 2015-12-22 | — | — | US | disclosed |
| US-20130090326-A1 | Antimicrobial Compounds and Methods of Making and Using the Same | RIB-X PHARMACEUTICALS, INC. (US) | 2013-04-11 | — | — | US | disclosed |
| WO-2011047323-A2 | ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | RIB-X PHARMACEUTICALS, INC. (US) | 2011-04-21 | — | — | WO | disclosed |