⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16828847 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL3057710 | 0.98 | ALDH1A1 (0.31) | — | |
| SCHEMBL7326645 | 0.82 | — | — | |
| SCHEMBL24496160 | 0.80 | — | — | |
| SCHEMBL11162106 | 0.78 | — | — | |
| SCHEMBL13274609 | 0.76 | — | — | |
| SCHEMBL7954257 | 0.76 | — | — | |
| SCHEMBL7995431 | 0.76 | — | — | |
| Phosphonic Acid SCHEMBL8386252 | 0.73 | — | — | |
| SCHEMBL6998022 | 0.73 | — | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1049697-A1 | TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2000-11-08 | — | — | EP | claimed |
| WO-1999037645-A1 | TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1999-07-29 | — | — | WO | claimed |
| CN-114644621-B | Preparation method of oral medicine S-217622 for treating new coronaries pneumonia | 苏州立新制药有限公司 | 2023-08-22 | — | — | CN | disclosed |
| CN-114853741-B | Preparation method of novel coronavirus main protease inhibitor | 苏州立新制药有限公司 | 2023-08-04 | — | — | CN | disclosed |
| EP-3798217-B1 | PIPERIDINE CXCR7 RECEPTOR MODULATORS | IDORSIA PHARMACEUTICALS LTD (CH) | 2023-02-22 | — | — | EP | disclosed |
| CN-109563085-B | Piperidine CXCR7 receptor modulators | 爱杜西亚药品有限公司 | 2022-08-09 | — | — | CN | disclosed |
| CN-114874194-A | Method for preparing anti-new coronavirus drug Ensittrelvir | 北京白泽瑞成医药科技有限公司 | 2022-08-09 | — | — | CN | disclosed |
| CN-110563717-B | Piperidine CXCR7 receptor modulators | 爱杜西亚药品有限公司 | 2022-08-09 | — | — | CN | disclosed |
| CN-114853741-A | Preparation method of novel coronavirus main protease inhibitor | 苏州立新制药有限公司 | 2022-08-05 | — | — | CN | disclosed |
| CN-114644621-A | Preparation method of oral medicine S-217622 for treating neocoronary pneumonia | 苏州立新制药有限公司 | 2022-06-21 | — | — | CN | disclosed |
| EP-3490986-B1 | PIPERIDINE CXCR7 RECEPTOR MODULATORS | IDORSIA PHARMACEUTICALS LTD (CH) | 2021-11-24 | — | — | EP | disclosed |
| EP-3798217-A1 | PIPERIDINE CXCR7 RECEPTOR MODULATORS | Idorsia Pharmaceuticals Ltd (CH) | 2021-03-31 | — | — | EP | disclosed |
| US-20200385373-A1 | PIPERIDINE CXCR7 RECEPTOR MODULATORS | IDORSIA PHARMACEUTICALS LTD (CH) | 2020-12-10 | — | — | US | disclosed |
| US-10752620-B2 | Piperdine CXCR7 receptor modulators | IDORSIA PHARMACEUTICALS LTD. (CH) | 2020-08-25 | — | — | US | disclosed |
| CN-110563717-A | piperidine CXCR7receptor modulators | 爱杜西亚药品有限公司 | 2019-12-13 | — | — | CN | disclosed |
| US-20190169180-A1 | PIPERDINE CXCR7 RECEPTOR MODULATORS | ACTELION PHARMACEUTICALS LTD. (CH) | 2019-06-06 | — | — | US | disclosed |
| EP-1049697-B1 | TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2003-09-17 | — | — | EP | disclosed |
| EP-1049697-A1 | TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2000-11-08 | — | — | EP | disclosed |
| WO-1999037645-A1 | TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1999-07-29 | — | — | WO | disclosed |