⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4232540 | 0.74 | AHR (0.39) | — | |
| SCHEMBL4053968 | 0.67 | MYLK (0.34) | — | |
| SCHEMBL4062215 | 0.66 | KDR (0.34) | — | |
| SCHEMBL4238939 | 0.65 | EP300 (0.35) | — | |
| SCHEMBL30050194 | 0.61 | IMPDH2 (0.49) | — | |
| SCHEMBL998955 | 0.61 | IMPDH2 (0.49) | — | |
| SCHEMBL10672074 | 0.56 | ADRB1 (0.43) | — | |
| SCHEMBL7951002 | 0.56 | DRD2 (0.41) | — | |
| SCHEMBL8805458 | 0.56 | SIGMAR1 (0.46) | — | |
| SCHEMBL21562848 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009115874-A2 | NOVEL HETEROCYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION | MATRIX LABORATORIES LTD. (IN) | 2009-09-24 | — | — | WO | disclosed |
| WO-2009115874-A2 | NOVEL HETEROCYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION | MATRIX LABORATORIES LTD. (IN) | 2009-09-24 | — | — | WO | disclosed |