⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1987784 | 1.00 | — | — | |
| SCHEMBL2112260 | 0.81 | PAOX (0.41) | — | |
| SCHEMBL14144566 | 0.80 | — | — | |
| SCHEMBL12890125 | 0.79 | — | — | |
| SCHEMBL13094209 | 0.76 | DNM1 (0.38) | — | |
| SCHEMBL21287061 | 0.76 | CA12 (0.43) | — | |
| SCHEMBL8210212 | 0.75 | — | — | |
| SCHEMBL9802273 | 0.75 | — | — | |
| SCHEMBL845004 | 0.75 | — | — | |
| SCHEMBL73010 | 0.75 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018053552-A2 | ISOQUINOLIDINOBENZODIAZEPINES | CELLERANT THERAPEUTICS, INC. (US) | 2018-03-22 | — | — | WO | disclosed |