⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6590025 | 0.94 | ALDH1A1 (0.36) | — | |
| SCHEMBL6589604 | 0.84 | — | — | |
| SCHEMBL826524 | 0.73 | — | — | |
| SCHEMBL1004654 | 0.73 | — | — | |
| SCHEMBL6589636 | 0.73 | — | — | |
| SCHEMBL73140 | 0.69 | — | — | |
| SCHEMBL7690640 | 0.68 | ALDH1A1 (0.45) | — | |
| SCHEMBL8677978 | 0.68 | ALDH1A1 (0.44) | — | |
| SCHEMBL1003717 | 0.67 | — | — | |
| SCHEMBL6593748 | 0.67 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0823423-B1 | 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES | BANYU PHARMA CO LTD (JP) | 2004-06-16 | — | — | EP | disclosed |
| US-6218538-B1 | ANTAGONISTS OF N-TYPE NEURONAL CALCIUM CHANNELS USEFUL IN THE TREATMENT OF CEREBROVASCULAR ISCHAEMIA AND PAIN. | ASTRA AKTIEBOLAG (SE) | 2001-04-17 | — | — | US | 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-0993450-A1 | NEW COMPOUNDS | Astra Aktiebolag (publ) (SE) | 2000-04-19 | — | — | EP | disclosed |
| EP-0916668-A1 | CHEMOKINE RECEPTOR ANTAGONISTS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1999-05-19 | — | — | EP | disclosed |
| WO-1999001438-A1 | NEW COMPOUNDS | ASTRA AKTIEBOLAG (PUBL) (SE) | 1999-01-14 | — | — | WO | disclosed |
| US-5750540-A | SIDE EFFECT REDUCTION | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1998-05-12 | — | — | US | disclosed |
| EP-0823423-A1 | 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1998-02-11 | — | — | EP | disclosed |