⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17190562 | 0.86 | STAT3 (0.30) | — | |
| SCHEMBL18199044 | 0.84 | STAT3 (0.30) | — | |
| SCHEMBL15810572 | 0.83 | AHR (0.31) | — | |
| SCHEMBL17190560 | 0.83 | — | — | |
| SCHEMBL21892011 | 0.82 | — | — | |
| SCHEMBL21846567 | 0.76 | — | — | |
| SCHEMBL22902126 | 0.73 | — | — | |
| SCHEMBL17403691 | 0.68 | ICAM1 (0.33) | — | |
| SCHEMBL17403692 | 0.68 | ICAM1 (0.33) | — | |
| SCHEMBL21376714 | 0.66 | PRMT1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014090373-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2014-06-19 | — | — | WO | disclosed |