⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL5916930 | 0.67 | — | — | |
| SCHEMBL6614052 | 0.65 | — | — | |
| SCHEMBL462713 | 0.62 | — | — | |
| SCHEMBL2386932 | 0.62 | — | — | |
| SCHEMBL44638 | 0.62 | — | — | |
| SCHEMBL4950915 | 0.62 | — | — | |
| SCHEMBL2932948 | 0.62 | — | — | |
| SCHEMBL551144 | 0.62 | — | — | |
| SCHEMBL3984455 | 0.62 | — | — | |
| SCHEMBL3331954 | 0.62 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107266445-A | The piperidines and the preparation method of the triazole tin complex of pyrido 1,2,3 acted on PVC stabilizer | 穆开蕊 | 2017-10-20 | — | — | CN | claimed |
| CN-107266445-A | The piperidines and the preparation method of the triazole tin complex of pyrido 1,2,3 acted on PVC stabilizer | 穆开蕊 | 2017-10-20 | — | — | CN | disclosed |
| CN-104093717-A | PAK inhibitors for the treatment of cell proliferative disorders | AFRAXIS INC | 2014-10-08 | — | — | CN | disclosed |
| CN-104039786-A | PAK inhibitors for the treatment of fragile X syndrome | AFRAXIS INC | 2014-09-10 | — | — | CN | disclosed |
| CN-102712632-A | Inhibitors of flaviviridae viruses | GILEAD SCIENCES INC (US) | 2012-10-03 | — | — | CN | disclosed |
| CN-102712633-A | Inhibitors of flaviviridae viruses | GILEAD SCIENCES INC (US) | 2012-10-03 | — | — | CN | disclosed |
| EP-1501808-B1 | TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-07-02 | — | — | EP | disclosed |
| US-7179804-B2 | Tachykinin receptor antagonists | ELI LILLY AND COMPANY (US) | 2007-02-20 | — | — | US | disclosed |
| US-20050239776-A1 | Tachykinin receptor antagonists | ELI LILLY AND COMPANY (US) | 2005-10-27 | — | — | US | disclosed |
| EP-1501808-A1 | TACHYKININ RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2005-02-02 | — | — | EP | disclosed |
| WO-2003091227-A1 | TACHYKININ RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2003-11-06 | — | — | WO | disclosed |
| WO-1994023577-A1 | TRIAZOLYL AND TETRAZOLYL PHENYL SUBSTITUTED CARBAPENEM COMPOUNDS | MERCK & CO., INC. (US) | 1994-10-27 | — | — | WO | disclosed |
| US-5350746-A | Antibiotics | MERCK & CO., INC. (US) | 1994-09-27 | — | — | US | disclosed |