⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15840883 | 0.78 | APLNR (0.33) | — | |
| SCHEMBL19387414 | 0.66 | MEN1 (0.31) | — | |
| SCHEMBL15840985 | 0.61 | — | — | |
| SCHEMBL2607980 | 0.60 | ALDH1A1 (0.31) | — | |
| SCHEMBL20634111 | 0.57 | SLC25A5 (0.46) | — | |
| SCHEMBL16582755 | 0.54 | KDM1A (0.38) | — | |
| SCHEMBL10410280 | 0.53 | — | — | |
| SCHEMBL19871168 | 0.53 | — | — | |
| SCHEMBL9577220 | 0.52 | — | — | |
| SCHEMBL21450665 | 0.52 | — | — |
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-2935292-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2019-04-10 | — | — | EP | disclosed |