⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23624528 | 0.85 | TYR (0.37) | — | |
| SCHEMBL15185196 | 0.83 | TYR (0.31) | — | |
| SCHEMBL23624530 | 0.82 | HDAC3 (0.35) | — | |
| SCHEMBL18517444 | 0.80 | — | — | |
| SCHEMBL15728708 | 0.78 | TYR (0.34) | — | |
| SCHEMBL15444497 | 0.77 | — | — | |
| SCHEMBL17189744 | 0.77 | TYR (0.42) | — | |
| SCHEMBL17189755 | 0.76 | HDAC3 (0.40) | — | |
| SCHEMBL23624529 | 0.73 | TYR (0.39) | — | |
| SCHEMBL16926151 | 0.73 | TYR (0.31) | — |
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-20160319194-A1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2016-11-03 | — | — | US | disclosed |