⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13252477 | 0.83 | KMT2A (0.36) | — | |
| SCHEMBL2056129 | 0.81 | — | — | |
| SCHEMBL18031185 | 0.77 | — | — | |
| SCHEMBL4403621 | 0.77 | ALDH1A1 (0.44) | — | |
| SCHEMBL4407849 | 0.74 | CNR2 (0.51) | — | |
| SCHEMBL4410962 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL96932 | 0.74 | KMT2A (0.43) | — | |
| SCHEMBL13327698 | 0.73 | — | — | |
| SCHEMBL4405197 | 0.72 | SLC9A1 (0.42) | — | |
| SCHEMBL10240204 | 0.72 | ALDH1A1 (0.33) | — |
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-20100111863-A1 | 18F-LABELLED FOLATES | MERCK EPROVA AG (CH) | 2010-05-06 | — | — | US | disclosed |