⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12457879 | 0.80 | — | — | |
| SCHEMBL2143600 | 0.80 | — | — | |
| SCHEMBL22249367 | 0.80 | — | — | |
| SCHEMBL14882767 | 0.71 | CHRNB2 (0.31) | — | |
| SCHEMBL22540549 | 0.71 | CHRNB2 (0.31) | — | |
| SCHEMBL24196772 | 0.71 | CHRNB2 (0.31) | — | |
| SCHEMBL22270766 | 0.71 | CHRNB2 (0.31) | — | |
| SCHEMBL20031391 | 0.71 | CHRNB2 (0.31) | — | |
| SCHEMBL19424165 | 0.71 | CHRNB2 (0.31) | — | |
| SCHEMBL11957184 | 0.71 | CHRNB2 (0.31) | — |
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-7884099-B2 | such as (R)-5'-[3-{1-(4-{1-[1-(3-Carboxy-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-4H-quinolizine-8-yl)-pyrrolidin-3-yl-cyclopropyl]-methylamino}-piperidin-1-yl]-3'-hydroxy-benzoxazinorifamycin, useful as bactericides for the treatment of bacterial infections | CUMBRE IP VENTURES, L.P. (US) | 2011-02-08 | — | — | US | disclosed |
| WO-2009064792-A1 | QUINOLONE CARBOXYLIC ACID-SUBSTITUTED RIFAMYCIN DERIVATIVES | CUMBRE PHARMACEUTICALS INC. (US) | 2009-05-22 | — | — | WO | disclosed |