⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18180033 | 0.97 | TP53 (0.31) | — | |
| SCHEMBL11887458 | 0.92 | TP53 (0.33) | — | |
| SCHEMBL11887457 | 0.90 | TDP1 (0.34) | — | |
| SCHEMBL15801314 | 0.85 | ALOX15 (0.33) | — | |
| SCHEMBL22901506 | 0.81 | TDP2 (0.35) | — | |
| SCHEMBL9455626 | 0.80 | CA12 (0.37) | — | |
| SCHEMBL15803226 | 0.79 | ALOX15 (0.36) | — | |
| SCHEMBL22901516 | 0.78 | ABL1 (0.35) | — | |
| SCHEMBL18180031 | 0.77 | — | — | |
| SCHEMBL9455519 | 0.76 | PDK2 (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-20140171588-A1 | COMPOSITION FOR FLEXIBLE SUBSTRATE AND FLEXIBLE SUBSTRATE FORMED FROM THE SAME | CHI MEI CORPORATION (TW) | 2014-06-19 | — | — | US | disclosed |