⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1287684 | 0.80 | CYP1A2 (0.41) | — | |
| SCHEMBL4751572 | 0.75 | CYP1A2 (0.33) | — | |
| SCHEMBL13684882 | 0.74 | — | — | |
| SCHEMBL15556534 | 0.73 | — | — | |
| SCHEMBL23049164 | 0.71 | — | — | |
| SCHEMBL31406992 | 0.71 | — | — | |
| SCHEMBL811113 | 0.68 | CA1 (0.32) | — | |
| SCHEMBL4755024 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL6590050 | 0.65 | — | — | |
| SCHEMBL7081831 | 0.64 | CYP1A2 (0.37) | — |
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-2008149962-A1 | THIOIMIDATE COMPOUND AND USE THEREOF FOR CONTROLLING PESTS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2008-12-11 | — | — | WO | disclosed |
| EP-0823423-B1 | 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES | BANYU PHARMA CO LTD (JP) | 2004-06-16 | — | — | EP | disclosed |
| US-6140338-A | FOR TREATING ACUTE INFLAMMATORY DISEASES, CHRONIC INFLAMMATORY DISEASES, ACQUIRED IMMUNE DEFICIENCY SYNDROME, CANCER, ISCHEMIC REFLOW DISORDER AND/OR ARTERIOSCLEROSIS | BANYU PHARMACEUTICAL, CO., LTD. (JP) | 2000-10-31 | — | — | US | disclosed |
| EP-0916668-A1 | CHEMOKINE RECEPTOR ANTAGONISTS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1999-05-19 | — | — | EP | disclosed |
| EP-0823423-A1 | 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1998-02-11 | — | — | EP | disclosed |