⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8350061 | 0.72 | CHRM3 (0.32) | — | |
| SCHEMBL14310363 | 0.72 | CHRM3 (0.32) | — | |
| SCHEMBL25224878 | 0.72 | — | — | |
| SCHEMBL16542281 | 0.69 | — | — | |
| SCHEMBL17346685 | 0.69 | CHRM4 (0.31) | — | |
| SCHEMBL13406669 | 0.68 | L3MBTL1 (0.39) | — | |
| SCHEMBL12642741 | 0.68 | L3MBTL1 (0.39) | — | |
| SCHEMBL13850386 | 0.67 | PARP1 (0.32) | — | |
| SCHEMBL6108591 | 0.67 | PARP1 (0.32) | — | |
| SCHEMBL29953388 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1845751-A | Stationary phase and purification method using the same | MERCK & CO INC (US) | 2006-10-11 | — | — | CN | disclosed |