⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2342427 | 0.87 | — | — | |
| SCHEMBL8230373 | 0.87 | — | — | |
| SCHEMBL15116413 | 0.86 | EPHX2 (0.32) | — | |
| SCHEMBL1674452 | 0.84 | ALDH1A1 (0.34) | — | |
| SCHEMBL8228678 | 0.84 | ALDH1A1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL10437891 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL7286601 | 0.80 | KDM4E (0.40) | — | |
| SCHEMBL16887591 | 0.80 | SMN1; SMN2 (0.36) | — | |
| Acetic Acid SCHEMBL11142798 | 0.80 | FFAR3 (0.37) | — | |
| SCHEMBL17029290 | 0.78 | CYP2C9 (0.37) | — |
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 208 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023020605-A1 | CAMPTOTHECIN DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF | 江苏先声药业有限公司 | 2023-02-23 | — | — | WO | disclosed |
| EP-3169665-B1 | SUBSTITUTED AZA-SPIRO(4.5)DECANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2018-05-09 | — | — | EP | disclosed |
| US-20170320833-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-11-09 | — | — | US | disclosed |
| US-9770439-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-09-26 | — | — | US | disclosed |
| US-9765087-B2 | Benzimidazole derivatives | ENANTA PHARMACEUTICALS, INC. (US) | 2017-09-19 | — | — | US | disclosed |
| US-9758487-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-09-12 | — | — | US | disclosed |
| EP-1921077-B1 | AGENT FOR TREATING AND/OR PREVENTING SLEEP DISORDER | KYOWA HAKKO KIRIN CO LTD (JP) | 2017-07-26 | — | — | EP | disclosed |
| US-9676802-B2 | Hepatitis C virus inhibitors | ENANTA PHARMACEUTICALS, INC. (US) | 2017-06-13 | — | — | US | disclosed |
| US-9662339-B2 | Benzodioxane inhibitors of leukotriene production for combination therapy | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-05-30 | — | — | US | disclosed |
| US-9662339-B2 | Benzodioxane inhibitors of leukotriene production for combination therapy | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-05-30 | — | — | US | disclosed |
| US-7176229-B2 | Cyclic AMP-specific phosphodiesterase inhibitors | ICOS CORPORATION (US) | 2007-02-13 | — | — | US | disclosed |
| WO-2006077424-A1 | PHARMACEUTICAL COMPOUNDS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-07-27 | — | — | WO | disclosed |
| WO-2006077428-A1 | PHARMACEUTICAL COMPOUNDS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-07-27 | — | — | WO | disclosed |
| WO-2006077414-A1 | PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S | ASTEX THERAPEUTICS LIMITED (GB) | 2006-07-27 | — | — | WO | disclosed |
| WO-2006077419-A1 | PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S | ASTEX THERAPEUTICS LIMITED (GB) | 2006-07-27 | — | — | WO | disclosed |
| WO-2006077425-A1 | COMBINATIONS OF PYRAZOLE KINASE INHIBITORS AND FURTHER ANTITUMOR AGENTS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-07-27 | — | — | WO | disclosed |
| WO-2005032490-A2 | CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-04-14 | — | — | WO | disclosed |
| WO-2005012256-A1 | 3, 4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS | ASTEX THERAPEUTICS LIMITED (GB) | 2005-02-10 | — | — | WO | disclosed |
| WO-2004082687-A1 | LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-09-30 | — | — | WO | disclosed |
| WO-2003099276-A1 | 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-12-04 | — | — | WO | disclosed |