⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1563070 | 0.78 | HTR2A (0.30) | — | |
| SCHEMBL1231621 | 0.75 | — | — | |
| SCHEMBL27712059 | 0.73 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL28900534 | 0.71 | MMP1 (0.32) | — | |
| SCHEMBL11344059 | 0.70 | CA1 (0.41) | — | |
| SCHEMBL11094213 | 0.70 | PDK1 (0.33) | — | |
| SCHEMBL6648360 | 0.69 | TAAR1 (0.33) | — | |
| SCHEMBL6760989 | 0.69 | TAAR1 (0.33) | — | |
| SCHEMBL510279 | 0.69 | — | — | |
| Methane SCHEMBL16346850 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105085435-A | Preparation method for crystalline dibenzothiazepine derivative | Xuchang hengsheng pharmaceutical co ltd | 2015-11-25 | — | — | CN | claimed |
| CN-105085435-A | Preparation method for crystalline dibenzothiazepine derivative | Xuchang hengsheng pharmaceutical co ltd | 2015-11-25 | — | — | CN | disclosed |
| CN-102216279-B | Phenyl pyrimidone compounds, pharmaceutical compositions, preparation methods and uses thereof | TOPHARMAN SHANGHAI Co.,Ltd. (CN) | 2014-10-29 | — | — | CN | disclosed |
| CN-102216279-A | Phenyl pyrimidone compounds, pharmaceutical compositions, preparation methods and uses thereof | TOPHARMAN SHANGHAI CO LTD | 2011-10-12 | — | — | CN | disclosed |
| US-5804100-A | Deaggregated electrically conductive polymers and precursors thereof | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 1998-09-08 | — | — | US | disclosed |
| EP-0282236-A1 | Process for the preparation of a thiazepine compound | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-09-14 | — | — | EP | disclosed |
| EP-0144991-A2 | Polymethoxybenzyl piperazine derivatives, processes for their preparation and pharmaceutical compositions containing said derivatives | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 1985-06-19 | — | — | EP | disclosed |