⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17885008 | 0.79 | MCL1 (0.36) | — | |
| SCHEMBL22423590 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL21784249 | 0.75 | PRKDC (0.39) | — | |
| SCHEMBL10116937 | 0.73 | PRKDC (0.35) | — | |
| SCHEMBL21191629 | 0.73 | — | — | |
| SCHEMBL21771766 | 0.72 | — | — | |
| SCHEMBL23652322 | 0.72 | PRKDC (0.36) | — | |
| SCHEMBL18731066 | 0.71 | ALDH1A1 (0.34) | — | |
| SCHEMBL22005386 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL22756963 | 0.71 | ENPP1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3640252-A1 | 4H-IMIDAZO[1,2-A]IMIDAZOLES FOR ELECTRONIC APPLICATIONS | UDC Ireland Limited (IE) | 2020-04-22 | — | — | EP | disclosed |