⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16790629 | 0.79 | AKT2 (0.38) | — | |
| SCHEMBL14134324 | 0.78 | CHRM2 (0.43) | — | |
| SCHEMBL14270331 | 0.73 | — | — | |
| SCHEMBL17026027 | 0.72 | CYP1A2 (0.31) | — | |
| SCHEMBL13527823 | 0.70 | CA2 (0.37) | — | |
| SCHEMBL13982975 | 0.69 | — | — | |
| SCHEMBL14270230 | 0.69 | — | — | |
| SCHEMBL14270156 | 0.67 | CHRM2 (0.41) | — | |
| SCHEMBL13527797 | 0.65 | CHRM2 (0.44) | — | |
| SCHEMBL23948654 | 0.64 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8841263-B2 | Macrocyclic compounds and methods of making and using the same | MELINTA THERAPEUTICS, INC. (US) | 2014-09-23 | — | — | US | disclosed |
| US-8841263-B2 | Macrocyclic compounds and methods of making and using the same | MELINTA THERAPEUTICS, INC. (US) | 2014-09-23 | — | — | US | disclosed |
| US-20120252747-A1 | MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | SILICON VALLEY BANK | 2012-10-04 | — | — | US | disclosed |
| US-20120252747-A1 | MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | SILICON VALLEY BANK | 2012-10-04 | — | — | US | disclosed |
| US-8202843-B2 | Macrocyclic compounds and methods of making and using the same | RIB-X PHARMACEUTICALS, INC. (US) | 2012-06-19 | — | — | US | disclosed |