⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22158530 | 0.85 | MAT2A (0.36) | — | |
| SCHEMBL22157691 | 0.81 | KIF11 (0.41) | — | |
| SCHEMBL22158535 | 0.76 | KIF11 (0.36) | — | |
| SCHEMBL22157688 | 0.74 | KIF11 (0.38) | — | |
| SCHEMBL22156729 | 0.73 | KIF11 (0.35) | — | |
| SCHEMBL22158536 | 0.73 | KIF11 (0.40) | — | |
| SCHEMBL23299850 | 0.71 | KIF11 (0.42) | — | |
| SCHEMBL14201133 | 0.70 | MAT2A (0.34) | — | |
| SCHEMBL22158628 | 0.69 | KIF11 (0.39) | — | |
| SCHEMBL22158531 | 0.69 | KIF11 (0.46) | — |
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-3635070-B1 | ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES | CYNORA GMBH (DE) | 2021-04-28 | — | — | EP | disclosed |