⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2234255 | 0.85 | — | — | |
| SCHEMBL9428133 | 0.77 | — | — | |
| SCHEMBL24197651 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL10907448 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL16496 | 0.75 | — | — | |
| SCHEMBL1977510 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL3409261 | 0.75 | — | — | |
| SCHEMBL17090744 | 0.73 | — | — | |
| SCHEMBL175250 | 0.73 | — | — | |
| SCHEMBL11487692 | 0.73 | CYP1A2 (0.31) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3049391-A1 | INDOL AND INDAZOL DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2016-08-03 | — | — | EP | disclosed |
| CN-101863800-B | Method for synthesizing carbamate, catalyst applicable to method and preparation method and use thereof | BAYER MATERIALSCIENCE CHINA CO LTD | 2015-06-24 | — | — | CN | disclosed |
| WO-2015044072-A1 | INDOL AND INDAZOL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2015-04-02 | — | — | WO | disclosed |
| US-8450518-B2 | Method for preparing a carbamate, a catalyst applied in the method, a method for preparing the catalyst and use thereof | BAYER MATERIALSCIENCE AG (DE) | 2013-05-28 | — | — | US | disclosed |
| US-20100274041-A1 | METHOD FOR PREPARING A CARBAMATE, A CATALYST APPLIED IN THE METHOD, A METHOD FOR PREPARING THE CATALYST AND USE THEREOF | BAYER MATERIALSCIENCE AG (DE) | 2010-10-28 | — | — | US | disclosed |
| CN-101863800-A | Method for synthesizing carbamate, catalyst applicable to method and preparation method and use thereof | BAYER MATERIALSCIENCE CHINA CO LTD | 2010-10-20 | — | — | CN | disclosed |
| WO-2009109998-A1 | NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS | LUPIN LIMITED (IN) | 2009-09-11 | — | — | WO | disclosed |
| US-4232009-A | PROSTAGLANDINS, CYCLODEXTRIN CLATHRATES, HYPOTENSIVES | ONO PHARMACEUTICAL CO. LTD. (JP) | 1980-11-04 | — | — | US | disclosed |