⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12650677 | 0.82 | — | — | |
| SCHEMBL685651 | 0.81 | KMT2A (0.33) | — | |
| SCHEMBL13817667 | 0.79 | KMT2A (0.33) | — | |
| SCHEMBL12370630 | 0.79 | — | — | |
| SCHEMBL12650664 | 0.79 | POLB (0.39) | — | |
| SCHEMBL10169855 | 0.78 | — | — | |
| SCHEMBL12650673 | 0.77 | — | — | |
| SCHEMBL12650667 | 0.75 | — | — | |
| SCHEMBL12834517 | 0.74 | KMT2A (0.35) | — | |
| SCHEMBL685120 | 0.73 | TSHR (0.32) | — |
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-20110117493-A1 | SALT AND PHOTORESIST COMPOSITION CONTAINING THE SAME | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-05-19 | — | — | US | disclosed |