⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14421637 | 0.95 | SCN9A (0.31) | — | |
| SCHEMBL17070280 | 0.91 | — | — | |
| SCHEMBL20118272 | 0.91 | SCN9A (0.33) | — | |
| SCHEMBL20072521 | 0.89 | ALOX5 (0.30) | — | |
| SCHEMBL17070283 | 0.88 | GRM2 (0.33) | — | |
| SCHEMBL18083595 | 0.88 | — | — | |
| SCHEMBL18855157 | 0.86 | — | — | |
| SCHEMBL23787993 | 0.86 | — | — | |
| SCHEMBL19844683 | 0.86 | SCN9A (0.31) | — | |
| SCHEMBL6402962 | 0.86 | TLR4 (0.32) | — |
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-2818533-B1 | LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT EMPLOYING SAME | DAINIPPON INK & CHEMICALS (JP) | 2017-05-17 | — | — | EP | disclosed |
| US-9493704-B2 | Cycloheptane derivative and preparation method and use thereof | SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) | 2016-11-15 | — | — | US | disclosed |
| US-9493704-B2 | Cycloheptane derivative and preparation method and use thereof | SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) | 2016-11-15 | — | — | US | disclosed |
| US-20150252261-A1 | CYCLOHEPTANE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF | SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD (CN) | 2015-09-10 | — | — | US | disclosed |
| US-20150252261-A1 | CYCLOHEPTANE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF | SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD (CN) | 2015-09-10 | — | — | US | disclosed |