⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3310419 | 0.84 | CA2 (0.41) | — | |
| SCHEMBL6013580 | 0.74 | — | — | |
| SCHEMBL10155578 | 0.74 | KMT2A (0.32) | — | |
| SCHEMBL12616464 | 0.72 | CA14 (0.37) | — | |
| Dimethylamine SCHEMBL28743113 | 0.71 | CA2 (0.40) | — | |
| SCHEMBL10154731 | 0.70 | ALDH1A1 (0.41) | — | |
| SCHEMBL15013851 | 0.70 | CA1 (0.35) | — | |
| SCHEMBL19627394 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL19448109 | 0.70 | MEN1 (0.37) | — | |
| SCHEMBL18782930 | 0.70 | CA14 (0.38) | — |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116848091-A | Inhibitors of ectonucleotide pyrophosphatase-phosphodiesterase-1 (ENPP 1) and uses thereof | 1CBIO公司 | 2023-10-03 | — | — | CN | disclosed |
| WO-2023118576-A1 | DHODH INHIBITORS CONTAINING A CARBOXYLIC ACID BIOISOSTERE | IMMUNIC AG (DE) | 2023-06-29 | — | — | WO | disclosed |
| US-20180057505-A1 | BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY | VERTEX PHARMACEUTICALS INCORPORATED | 2018-03-01 | — | — | US | disclosed |
| US-20170333399-A1 | Isoxazole Derivatives as FXR Agonists and Methods of Use Thereof | ENANTA PHARMACEUTICALS, INC. | 2017-11-23 | — | — | US | disclosed |
| US-20170334894-A1 | Isoxazole Derivatives as FXR Agonists and Methods of Use Thereof | ENANTA PHARMACEUTICALS, INC. | 2017-11-23 | — | — | US | disclosed |
| US-20170313745-A1 | INHIBITORS OF HEPATITIS C VIRUS | GILEAD SCIENCES, INC. | 2017-11-02 | — | — | US | disclosed |
| US-20170290827-A1 | INHIBITORS OF HEPATITIS C VIRUS | GILEAD PHARMASSET LLC | 2017-10-12 | — | — | US | disclosed |
| US-9765087-B2 | Benzimidazole derivatives | ENANTA PHARMACEUTICALS, INC. (US) | 2017-09-19 | — | — | US | disclosed |
| WO-2017059411-A9 | INHIBITORS OF MENAQUINONE BIOSYNTHESIS | MEMORIAL SLOAN-KETTERING CANCER CENTER (US) | 2017-08-31 | — | — | WO | disclosed |
| WO-2017137423-A1 | IMPROVED SULFAMIDE LINKERS FOR USE IN BIOCONJUGATES | SYNAFFIX B.V. (NL) | 2017-08-17 | — | — | WO | disclosed |
| US-20140274884-A1 | INHIBITORS OF HEPATITIS C VIRUS | GILEAD SCIENCES, INC. | 2014-09-18 | — | — | US | disclosed |
| WO-2014145095-A1 | MACROCYCLIC AND BICYCLIC INHIBITORS OF HEPATITIS C VIRUS | GILEAD SCIENCES, INC. (US) | 2014-09-18 | — | — | WO | disclosed |
| US-20140193363-A1 | NOVEL BENZIMIDAZOLE DERIVATIVES | ENANTA PHARMACEUTICALS, INC. (US) | 2014-07-10 | — | — | US | disclosed |
| US-8673954-B2 | Benzimidazole derivatives | ENANTA PHARMACEUTICALS, INC. (US) | 2014-03-18 | — | — | US | disclosed |
| US-20140017198-A1 | INHIBITORS OF HEPATITIS C VIRUS | GILEAD PHARMASSET LLC | 2014-01-16 | — | — | US | disclosed |
| WO-2014008285-A1 | INHIBITORS OF HEPATITIS C VIRUS | GILEAD SCIENCES, INC. (US) | 2014-01-09 | — | — | WO | disclosed |
| US-8507522-B2 | Hepatitis C virus inhibitors | ENANTA PHARMACEUTICALS, INC. (US) | 2013-08-13 | — | — | US | disclosed |
| US-8101643-B2 | Benzimidazole derivatives | ENANTA PHARMACEUTICALS, INC. (US) | 2012-01-24 | — | — | US | disclosed |
| US-20100260715-A1 | HEPATITIS C VIRUS INHIBITORS | ENANTA PHARMACEUTICALS, INC. | 2010-10-14 | — | — | US | disclosed |
| US-20100233122-A1 | NOVEL BENZIMIDAZOLE DERIVATIVES | ENANTA PHARMACEUTICALS, INC. | 2010-09-16 | — | — | US | disclosed |