⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10129385 | 0.83 | GABRA2 (0.37) | — | |
| SCHEMBL14417165 | 0.80 | AR (0.42) | — | |
| SCHEMBL27249327 | 0.80 | HTT (0.31) | — | |
| SCHEMBL15059775 | 0.80 | — | — | |
| SCHEMBL22021705 | 0.80 | — | — | |
| SCHEMBL25009052 | 0.80 | ACHE (0.35) | — | |
| SCHEMBL22077974 | 0.78 | ACHE (0.36) | — | |
| SCHEMBL22810865 | 0.77 | HMGCR (0.31) | — | |
| SCHEMBL20282388 | 0.74 | IRAK4 (0.34) | — | |
| SCHEMBL22946782 | 0.73 | — | — |
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-10464969-B2 | Amatoxin derivatives and conjugates thereof as inhibitors of RNA polymerase | NOVARTIS AG (CH) | 2019-11-05 | — | — | US | disclosed |
| US-20190144504-A1 | AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE | NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. | 2019-05-16 | — | — | US | disclosed |