⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7937886 | 1.00 | — | — | |
| SCHEMBL2947395 | 1.00 | — | — | |
| SCHEMBL18023105 | 0.83 | ALDH1A1 (0.38) | — | |
| SCHEMBL18023085 | 0.83 | ALDH1A1 (0.38) | — | |
| SCHEMBL29011583 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL26739908 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL26739903 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL26739906 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL25489245 | 0.81 | ALDH1A1 (0.37) | — | |
| Propylene Glycol SCHEMBL10498719 | 0.79 | TDP1 (0.48) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0994098-B1 | Ferrielectric liquid crystal compound | MITSUBISHI GAS CHEMICAL CO (JP) | 2002-11-06 | — | — | EP | disclosed |
| US-6239316-B1 | Optically active secondary alcohol and process for the production thereof | MITSUBISHI GAS CHEMICAL COMPANY INC (JP) | 2001-05-29 | — | — | US | disclosed |
| US-6197216-B1 | BROAD TEMPERATURE RANGE; HIGH-SPEED OPTICAL RESPONSE IN SPITE OF A SMALL SPONTANEOUS POLARIZATION; USE IN AN ACTIVE MATRIX-TYPE LIQUID CRYSTAL DISPLAY DEVICE IN WHICH A LIQUID CRYSTAL IS DRIVEN FOR EACH PIXEL INDEPENDENTLY | MITSUBISHI GAS CHEMICAL CO INC (JP) | 2001-03-06 | — | — | US | disclosed |
| EP-0994098-A1 | Ferrielectric liquid crystal compound | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2000-04-19 | — | — | EP | disclosed |
| EP-0980860-A1 | Optically active secondary alcohol and process for the production thereof | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2000-02-23 | — | — | EP | disclosed |