⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25713993 | 0.77 | CA1 (0.30) | — | |
| SCHEMBL3121122 | 0.74 | — | — | |
| SCHEMBL14983954 | 0.74 | CA1 (0.32) | — | |
| SCHEMBL2304270 | 0.74 | — | — | |
| SCHEMBL13391567 | 0.74 | — | — | |
| SCHEMBL6948376 | 0.72 | — | — | |
| SCHEMBL3112982 | 0.65 | CA12 (0.31) | — | |
| SCHEMBL7113871 | 0.65 | KDM4E (0.33) | — | |
| SCHEMBL8761275 | 0.65 | CA1 (0.32) | — | |
| SCHEMBL491309 | 0.65 | — | — |
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-6033826-A | POLYHYDROXYSTYRENE DERIVATIVE CONTAINING AN ACETAL OR KETAL GROUP WHICH CAN EASILY BE ELIMINATED IN THE PRESENCE OF AN ACID IN THE MOLECULE AND HAVING A VERY NARROW MOLECULAR WEIGHT DISTRIBUTION GIVES A RESIST MATERIAL | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2000-03-07 | — | — | US | disclosed |