⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18032048 | 0.95 | TLR4 (0.32) | — | |
| SCHEMBL6402964 | 0.95 | TLR4 (0.32) | — | |
| SCHEMBL6402958 | 0.95 | TLR4 (0.32) | — | |
| SCHEMBL6402962 | 0.95 | TLR4 (0.32) | — | |
| SCHEMBL17070276 | 0.91 | — | — | |
| SCHEMBL20118270 | 0.91 | SCN9A (0.32) | — | |
| SCHEMBL12032062 | 0.90 | TLR4 (0.34) | — | |
| SCHEMBL12032287 | 0.90 | TLR4 (0.34) | — | |
| SCHEMBL17070288 | 0.88 | GRM2 (0.32) | — | |
| SCHEMBL18032047 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |