⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL41312 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL28209085 | 0.95 | NPC1 (0.48) | — | |
| SCHEMBL12614069 | 0.95 | — | — | |
| SCHEMBL27940376 | 0.95 | — | — | |
| Phosphine SCHEMBL14798918 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL10511789 | 0.95 | — | — | |
| Potassium SCHEMBL30612369 | 0.95 | — | — | |
| Bromide SCHEMBL31019391 | 0.95 | — | — | |
| SCHEMBL29083650 | 0.95 | — | — | |
| SCHEMBL28320382 | 0.95 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101747280-B | Method for preparing detomidine and the intermediate thereof | SHANGHAI DESANO PHARMACEUTICALS HOLDING CO LTD | 2011-11-09 | — | — | CN | claimed |
| CN-101747280-A | Method for preparing detomidine and the intermediate thereof | SHANGHAI DESANO CHEMICAL PHARM | 2010-06-23 | — | — | CN | claimed |
| US-9834526-B2 | HIV protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-12-05 | — | — | US | disclosed |
| US-20160311786-A1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-10-27 | — | — | US | disclosed |
| CN-101747280-B | Method for preparing detomidine and the intermediate thereof | SHANGHAI DESANO PHARMACEUTICALS HOLDING CO LTD | 2011-11-09 | — | — | CN | disclosed |
| CN-101747280-A | Method for preparing detomidine and the intermediate thereof | SHANGHAI DESANO CHEMICAL PHARM | 2010-06-23 | — | — | CN | disclosed |