⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9000203 | 0.77 | — | — | |
| SCHEMBL3111305 | 0.73 | PTGS1 (0.45) | — | |
| SCHEMBL3111303 | 0.73 | PTGS1 (0.45) | — | |
| Methyl Alcohol SCHEMBL11059144 | 0.71 | — | — | |
| Methyl Alcohol SCHEMBL11059150 | 0.71 | — | — | |
| SCHEMBL11495256 | 0.71 | — | — | |
| SCHEMBL13969783 | 0.71 | — | — | |
| SCHEMBL28299704 | 0.71 | — | — | |
| SCHEMBL907326 | 0.71 | — | — | |
| SCHEMBL10024576 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0794991-A1 | CHOLESTERIC POLYMER NETWORK | MERCK PATENT GmbH (DE) | 1997-09-17 | — | — | EP | disclosed |
| WO-1996017901-A1 | CHOLESTERIC POLYMER NETWORK | MERCK PATENT GMBH (DE) | 1996-06-13 | — | — | WO | disclosed |
| EP-0615630-A1 | LIQUID CRYSTALLINE MATERIAL | MERCK PATENT GmbH (DE) | 1994-09-21 | — | — | EP | disclosed |
| WO-1994008268-A1 | LIQUID CRYSTALLINE MATERIAL | MERCK PATENT GMBH (DE) | 1994-04-14 | — | — | WO | disclosed |