⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10135614 | 0.84 | OPRK1 (0.31) | — | |
| SCHEMBL27801252 | 0.80 | LMNA (0.33) | — | |
| SCHEMBL685657 | 0.80 | LMNA (0.33) | — | |
| SCHEMBL685965 | 0.72 | TSHR (0.35) | — | |
| SCHEMBL12847902 | 0.72 | CTSV (0.32) | — | |
| Butyrolactone SCHEMBL27822046 | 0.71 | CA1 (0.35) | — | |
| SCHEMBL685816 | 0.70 | TSHR (0.36) | — | |
| SCHEMBL12123893 | 0.69 | TDP1 (0.42) | — | |
| SCHEMBL12651233 | 0.69 | NLRP3 (0.32) | — | |
| SCHEMBL685967 | 0.68 | LMNA (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-20120164579-A1 | SALT, PHOTORESIST COMPOSITION AND PROCESS FOR PRODUCING PHOTORESIST PATTERN | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-06-28 | — | — | US | disclosed |