⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7695863 | 0.94 | TRPV1 (0.48) | — | |
| SCHEMBL6570850 | 0.92 | TRPV1 (0.52) | — | |
| SCHEMBL6696129 | 0.92 | TRPV1 (0.52) | — | |
| SCHEMBL6698430 | 0.92 | TRPV1 (0.52) | — | |
| SCHEMBL16732012 | 0.84 | — | — | |
| SCHEMBL18880179 | 0.82 | — | — | |
| SCHEMBL284016 | 0.82 | — | — | |
| SCHEMBL13374800 | 0.81 | — | — | |
| SCHEMBL1779196 | 0.81 | — | — | |
| SCHEMBL16306530 | 0.81 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210220339-A1 | RAPAMYCIN ANALOGS AND USES THEREOF | JANSSEN PHARMACEUTICA NV (BE) | 2021-07-22 | — | — | US | disclosed |
| US-10993938-B2 | Lactam compound, preparation method and use thereof | OCEAN UNIVERSITY OF CHINA (CN) | 2021-05-04 | — | — | US | disclosed |
| CN-107365275-B | High purity celecoxib | 杭州华东医药集团新药研究院有限公司 | 2020-07-03 | — | — | CN | disclosed |
| US-20200030312-A1 | Lactam Compound, Preparation Method and Use thereof | OCEAN UNIVERSITY OF CHINA (CN) | 2020-01-30 | — | — | US | disclosed |
| CN-106316967-B | The preparation method of West pa lattice intermediate and West pa lattice | 上海艾康睿医药科技有限公司 | 2019-02-05 | — | — | CN | disclosed |
| WO-2017042828-A2 | PROCESS FOR THE PREPARATION OF SELEXIPAG AND INTERMEDIATES THEREOF | MEGAFINE PHARMA (P) LTD. (IN) | 2017-03-16 | — | — | WO | disclosed |
| CN-106316967-A | Selexipag intermediates and method for preparing selexipag | 上海艾康睿医药科技有限公司 | 2017-01-11 | — | — | CN | disclosed |
| EP-2782948-A1 | LIPOPHILIC POLYALKYLENE POLYAMINES OBTAINED BY HOMOGENEOUSLY CATALYZED ALCOHOL AMINATION | BASF SE (DE) | 2014-10-01 | — | — | EP | disclosed |
| WO-2013076025-A1 | LIPOPHILIC POLYALKYLENE POLYAMINES OBTAINED BY HOMOGENEOUSLY CATALYZED ALCOHOL AMINATION | BASF SE (DE) | 2013-05-30 | — | — | WO | disclosed |
| EP-1470138-A1 | MMP INHIBITORS | Leo Pharma A/S (DK) | 2004-10-27 | — | — | EP | disclosed |
| WO-2003059921-A1 | MMP INHIBITORS | LEO PHARMA A/S (DK) | 2003-07-24 | — | — | WO | disclosed |
| US-4622117-A | Self-crosslinking, heat-curable grinding resin | BASF FARBEN & FASERN AG (DE) | 1986-11-11 | — | — | US | disclosed |
| US-4539385-A | ACTIVATED ESTER INTERCHANGE | BASF FARBEN & FASERN AG (DE) | 1985-09-03 | — | — | US | disclosed |