⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22304641 | 0.96 | — | — | |
| SCHEMBL17282113 | 0.91 | LMNA (0.31) | — | |
| SCHEMBL22147235 | 0.82 | — | — | |
| SCHEMBL21470930 | 0.75 | — | — | |
| SCHEMBL16769524 | 0.75 | ALDH1A1 (0.52) | — | |
| SCHEMBL16377420 | 0.75 | SLC6A4 (0.35) | — | |
| SCHEMBL19779413 | 0.73 | SLC6A4 (0.38) | — | |
| SCHEMBL22147211 | 0.73 | — | — | |
| SCHEMBL16368594 | 0.71 | KMT2A (0.32) | — | |
| SCHEMBL14444072 | 0.71 | P2RX7 (0.31) | — |
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-20200197524-A1 | QUATERNIZED NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITOR CONJUGATES | SEATTLE GENETICS, INC. (US) | 2020-06-25 | — | — | US | disclosed |