⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27471191 | 0.78 | — | — | |
| SCHEMBL28074772 | 0.76 | CTSK (0.36) | — | |
| SCHEMBL28104746 | 0.74 | — | — | |
| SCHEMBL15072037 | 0.71 | — | — | |
| SCHEMBL28873658 | 0.71 | HSD11B1 (0.32) | — | |
| SCHEMBL27735924 | 0.71 | — | — | |
| SCHEMBL27470672 | 0.69 | MME (0.30) | — | |
| SCHEMBL28102233 | 0.69 | — | — | |
| SCHEMBL9727813 | 0.67 | SLC6A4 (0.40) | — | |
| SCHEMBL27995645 | 0.67 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9540331-B2 | Preparation method of dexmedetomidine intermediate | TIANJIN WEIJIE PHARMACEUTICAL CO., LTD (CN) | 2017-01-10 | — | — | US | claimed |
| US-20160272594-A1 | PREPARATION METHOD OF DEXMEDETOMIDINE INTERMEDIATE | TIANJIN WEIJIE PHARMACEUTICAL CO., LTD (CN) | 2016-09-22 | — | — | US | claimed |
| CN-103588711-B | Preparation method for medetomidine intermediate | TIANJIN WEIJIE PHARMACEUTICAL CO LTD | 2015-04-08 | — | — | CN | claimed |
| CN-103588711-A | Preparation method for medetomidine intermediate | TIANJIN WEIJIE PHARMACEUTICAL CO LTD | 2014-02-19 | — | — | CN | claimed |
| CN-108314654-B | Intermediate for preparing medetomidine and preparation method and application thereof | 山东百诺医药股份有限公司 | 2020-07-03 | — | — | CN | disclosed |
| US-9540331-B2 | Preparation method of dexmedetomidine intermediate | TIANJIN WEIJIE PHARMACEUTICAL CO., LTD (CN) | 2017-01-10 | — | — | US | disclosed |
| US-20160272594-A1 | PREPARATION METHOD OF DEXMEDETOMIDINE INTERMEDIATE | TIANJIN WEIJIE PHARMACEUTICAL CO., LTD (CN) | 2016-09-22 | — | — | US | disclosed |
| CN-103588711-B | Preparation method for medetomidine intermediate | TIANJIN WEIJIE PHARMACEUTICAL CO LTD | 2015-04-08 | — | — | CN | disclosed |
| CN-103588711-A | Preparation method for medetomidine intermediate | TIANJIN WEIJIE PHARMACEUTICAL CO LTD | 2014-02-19 | — | — | CN | disclosed |