⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16690462 | 0.76 | — | — | |
| SCHEMBL9044910 | 0.75 | — | — | |
| SCHEMBL14147593 | 0.75 | — | — | |
| SCHEMBL13372061 | 0.75 | — | — | |
| SCHEMBL6012887 | 0.75 | — | — | |
| SCHEMBL14155185 | 0.75 | — | — | |
| SCHEMBL525984 | 0.75 | — | — | |
| SCHEMBL10142464 | 0.75 | — | — | |
| SCHEMBL1400990 | 0.75 | — | — | |
| SCHEMBL1149444 | 0.75 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017031918-A1 | LONG-ACTING DIPEPTIDYL PEPTIDASE-IV INHIBITOR, APPLICATIONS, AND PREPARATION METHOD FOR INTERMEDIATE THEREOF | 四川科伦药物研究院有限公司 | 2017-03-02 | — | — | WO | disclosed |
| EP-2280964-B1 | CHLOROTHIOPHENE-ISOXAZOLES AS INHIBITORS OF COAGULATION FACTORS XA AND THROMBIN | SANOFI SA (FR) | 2012-08-29 | — | — | EP | disclosed |
| EP-0897130-B1 | Thermographic recording element | FUJIFILM CORP (JP) | 2009-07-15 | — | — | EP | disclosed |
| US-20070082330-A1 | COMPOUNDS DISPLAYED ON ICOSAHEDRAL PHAGE AND METHODS OF USING SAME | XENOPORT, INC. (US) | 2007-04-12 | — | — | US | disclosed |
| WO-2003053437-A1 | TRIAZOLES AS OXYTOCIN ANTAGONISTS | APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) | 2003-07-03 | — | — | WO | disclosed |