⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16572130 | 0.78 | TSHR (0.34) | — | |
| SCHEMBL27567868 | 0.76 | — | — | |
| SCHEMBL2610987 | 0.76 | — | — | |
| SCHEMBL27503899 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL27502843 | 0.75 | GAA (0.33) | — | |
| SCHEMBL14116508 | 0.73 | — | — | |
| SCHEMBL7473447 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL12724934 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL10941497 | 0.72 | GSK3B (0.31) | — | |
| SCHEMBL14720102 | 0.72 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024137607-A1 | THIADIAZOLE DERIVATIVES AS INHIBITORS OF CYCLIC GMP-AMP SYNTHASE AND USES THEREOF | VENTUS THERAPEUTICS U.S., INC. (US) | 2024-06-27 | — | — | WO | disclosed |
| US-20150329557-A1 | Inhibitors of the Renal Outer Medullary Potassium Channel | MERCK SHARP & DOHME CORP. (US) | 2015-11-19 | — | — | US | disclosed |
| EP-2116538-A1 | CONDENSED TETRAHYDROQUINOLINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES | Mitsubishi Tanabe Pharma Corporation (JP) | 2009-11-11 | — | — | EP | disclosed |
| EP-1169338-A2 | LOW-MOLECULAR INHIBITORS OF COMPLEMENT PROTEASES | BASF AKTIENGESELLSCHAFT (DE) | 2002-01-09 | — | — | EP | disclosed |
| EP-1165601-A2 | PRODRUGS OF THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2002-01-02 | — | — | EP | disclosed |
| EP-1051431-A1 | THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2000-11-15 | — | — | EP | disclosed |
| WO-2000061609-A2 | PRODRUGS OF THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2000-10-19 | — | — | WO | disclosed |
| WO-2000061608-A2 | LOW-MOLECULAR INHIBITORS OF COMPLEMENT PROTEASES | BASF AKTIENGESELLSCHAFT (DE) | 2000-10-19 | — | — | WO | disclosed |
| WO-1999037668-A1 | THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1999-07-29 | — | — | WO | disclosed |