⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9764168 | 0.87 | ALDH1A1 (0.37) | — | |
| SCHEMBL907293 | 0.83 | — | — | |
| SCHEMBL1614987 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL1615427 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL12796708 | 0.75 | CA12 (0.50) | — | |
| SCHEMBL154749 | 0.75 | CA12 (0.50) | — | |
| SCHEMBL14782153 | 0.75 | NTRK2 (0.33) | — | |
| SCHEMBL16004526 | 0.75 | CA12 (0.33) | — | |
| SCHEMBL17689811 | 0.75 | — | — | |
| SCHEMBL15796949 | 0.75 | — | — |
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-4990641-A | Crosslinking agent, modifier for composites | TOSHIBA SILICONE CO., LTD. (JP) | 1991-02-05 | — | — | US | disclosed |