⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL15924287 | 0.98 | — | — | |
| SCHEMBL20517452 | 0.76 | HTR2A (0.37) | — | |
| SCHEMBL20517214 | 0.76 | HTR2C (0.37) | — | |
| SCHEMBL31460011 | 0.75 | PDCD1 (0.36) | — | |
| SCHEMBL2928676 | 0.74 | — | — | |
| SCHEMBL16825412 | 0.74 | — | — | |
| SCHEMBL16843742 | 0.74 | — | — | |
| SCHEMBL20516617 | 0.74 | MAP4K1 (0.36) | — | |
| SCHEMBL20525164 | 0.72 | CHRNA7 (0.34) | — | |
| SCHEMBL12622660 | 0.69 | GRM5 (0.40) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119954831-A | Pyrimidopyrazoles, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2025-05-09 | — | — | CN | disclosed |
| EP-3893881-B1 | CYCLOBUTYL PYRAZOLOPYRIMIDINE PDE9 INHIBITORS | MERCK SHARP & DOHME LLC (US) | 2024-10-09 | — | — | EP | disclosed |
| WO-2024178390-A1 | COVALENT MODIFIERS OF AKT1 AND USES THEREOF | TERREMOTO BIOSCIENCES, INC. (US) | 2024-08-29 | — | — | WO | disclosed |
| WO-2022177869-A1 | ARYL ETHER COMPOUNDS AS TEAD MODULATORS | MERCK SHARP & DOHME LLC (US) | 2022-08-25 | — | — | WO | disclosed |
| EP-3893881-A1 | CYCLOBUTYL PYRAZOLOPYRIMIDINE PDE9 INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2021-10-20 | — | — | EP | disclosed |
| EP-2934538-B1 | FACTOR IXA INHIBITORS | MERCK SHARP & DOHME (US) | 2021-03-31 | — | — | EP | disclosed |
| WO-2020123271-A1 | CYCLOBUTYL PYRAZOLOPYRIMIDINE PDE9 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2020-06-18 | — | — | WO | disclosed |
| US-9708308-B2 | Factor IXa inhibitors | MERCK SHARP DOHME CORP. (US) | 2017-07-18 | — | — | US | disclosed |
| US-9708308-B2 | Factor IXa inhibitors | MERCK SHARP DOHME CORP. (US) | 2017-07-18 | — | — | US | disclosed |
| US-9708308-B2 | Factor IXa inhibitors | MERCK SHARP DOHME CORP. (US) | 2017-07-18 | — | — | US | disclosed |
| US-20150322056-A1 | Factor IXa Inhibitors | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2015-11-12 | — | — | US | disclosed |
| US-20150322056-A1 | Factor IXa Inhibitors | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2015-11-12 | — | — | US | disclosed |
| US-20150322056-A1 | Factor IXa Inhibitors | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2015-11-12 | — | — | US | disclosed |
| EP-2934538-A1 | FACTOR IXA INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2015-10-28 | — | — | EP | disclosed |
| WO-2014120346-A1 | FACTOR IXA INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-08-07 | — | — | WO | disclosed |
| WO-2014120346-A1 | FACTOR IXA INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-08-07 | — | — | WO | disclosed |