⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15691984 | 0.87 | — | — | |
| SCHEMBL18867375 | 0.86 | KMT2A (0.32) | — | |
| SCHEMBL18782758 | 0.86 | PSMB8 (0.31) | — | |
| SCHEMBL21648645 | 0.85 | NAAA (0.44) | — | |
| SCHEMBL22272181 | 0.85 | HDAC3 (0.35) | — | |
| SCHEMBL24770415 | 0.85 | NAAA (0.44) | — | |
| SCHEMBL18768989 | 0.85 | KMT2A (0.33) | — | |
| SCHEMBL23252983 | 0.84 | ACE (0.31) | — | |
| SCHEMBL26055888 | 0.84 | — | — | |
| SCHEMBL26049973 | 0.84 | ALDH1A1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210316001-A1 | AMINO-REACTIVE POSITIVELY CHARGED ATRP INITIATORS THAT MAINTAIN THEIR POSITIVE CHARGE DURING SYNTHESIS OF BIOMACRO-INITIATORS | CARNEGIE MELLON UNIVERSITY | 2021-10-14 | — | — | US | disclosed |