⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19276892 | 0.78 | UGT2B7 (0.33) | — | |
| SCHEMBL19276893 | 0.78 | UGT2B7 (0.33) | — | |
| SCHEMBL15769664 | 0.78 | — | — | |
| SCHEMBL8087803 | 0.77 | — | — | |
| SCHEMBL439829 | 0.74 | — | — | |
| SCHEMBL13839652 | 0.73 | TP53 (0.52) | — | |
| SCHEMBL10596591 | 0.73 | TP53 (0.52) | — | |
| SCHEMBL420093 | 0.73 | TP53 (0.52) | — | |
| SCHEMBL19052669 | 0.73 | — | — | |
| SCHEMBL15184686 | 0.73 | TP53 (0.52) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6117944-A | Curable composition | KANAGAWA UNIVERSITY (JP) | 2000-09-12 | — | — | US | claimed |
| US-6117944-A | Curable composition | KANAGAWA UNIVERSITY (JP) | 2000-09-12 | — | — | US | disclosed |
| JP-2000072869-A | HARDENABLE COMPOSITION | UNIV KANAGAWA | 2000-03-07 | — | — | JP | disclosed |