⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16694438 | 0.91 | — | — | |
| SCHEMBL16694123 | 0.90 | — | — | |
| SCHEMBL15599167 | 0.89 | — | — | |
| SCHEMBL15599182 | 0.89 | CXCR4 (0.48) | — | |
| SCHEMBL16886956 | 0.89 | — | — | |
| SCHEMBL16694166 | 0.89 | — | — | |
| SCHEMBL15598886 | 0.88 | ACHE (0.52) | — | |
| Hydrochloric Acid SCHEMBL16694401 | 0.87 | ACHE (0.51) | — | |
| SCHEMBL15599106 | 0.87 | MCHR1 (0.45) | — | |
| SCHEMBL15598768 | 0.87 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2871184-B1 | BENZODIOXOLE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF | ZHEJIANG HISUN PHARM CO LTD (CN) | 2017-09-06 | — | — | EP | claimed |
| US-9346818-B2 | Benzodioxole derivative and preparation method and use thereof | ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) | 2016-05-24 | — | — | US | claimed |
| US-20150191480-A1 | BENZODIOXOLE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF | ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) | 2015-07-09 | — | — | US | claimed |
| EP-2871184-A1 | BENZODIOXOLE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF | Zhejiang Hisun Pharmaceutical Co. Ltd. (CN) | 2015-05-13 | — | — | EP | claimed |
| EP-2871184-B1 | BENZODIOXOLE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF | ZHEJIANG HISUN PHARM CO LTD (CN) | 2017-09-06 | — | — | EP | disclosed |
| EP-2871184-B1 | BENZODIOXOLE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF | ZHEJIANG HISUN PHARM CO LTD (CN) | 2017-09-06 | — | — | EP | disclosed |
| US-9346818-B2 | Benzodioxole derivative and preparation method and use thereof | ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) | 2016-05-24 | — | — | US | disclosed |
| US-9346818-B2 | Benzodioxole derivative and preparation method and use thereof | ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) | 2016-05-24 | — | — | US | disclosed |
| US-9346818-B2 | Benzodioxole derivative and preparation method and use thereof | ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) | 2016-05-24 | — | — | US | disclosed |
| US-20150191480-A1 | BENZODIOXOLE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF | ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) | 2015-07-09 | — | — | US | disclosed |
| US-20150191480-A1 | BENZODIOXOLE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF | ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) | 2015-07-09 | — | — | US | disclosed |
| US-20150191480-A1 | BENZODIOXOLE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF | ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) | 2015-07-09 | — | — | US | disclosed |
| EP-2871184-A1 | BENZODIOXOLE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF | Zhejiang Hisun Pharmaceutical Co. Ltd. (CN) | 2015-05-13 | — | — | EP | disclosed |
| EP-2871184-A1 | BENZODIOXOLE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF | Zhejiang Hisun Pharmaceutical Co. Ltd. (CN) | 2015-05-13 | — | — | EP | disclosed |