⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4259508 | 0.78 | — | — | |
| SCHEMBL3764202 | 0.74 | — | — | |
| SCHEMBL4722404 | 0.73 | — | — | |
| SCHEMBL5560354 | 0.73 | — | — | |
| SCHEMBL7412312 | 0.71 | — | — | |
| SCHEMBL8500628 | 0.71 | — | — | |
| SCHEMBL28872871 | 0.69 | — | — | |
| SCHEMBL8005394 | 0.69 | — | — | |
| SCHEMBL4795798 | 0.69 | TP53 (0.38) | — | |
| SCHEMBL5897323 | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1476446-A | Benzodiazepine derivative | ֮����ʽ���� | 2004-02-18 | — | — | CN | claimed |
| CN-103221405-A | Substituted pyridine compound | DAIICHI SANKYO CO LTD | 2013-07-24 | — | — | CN | disclosed |
| CN-101384532-B | method for producing optically active alcohol | KOTOBUKI PHARMACEUTICAL CO LTD | 2013-01-02 | — | — | CN | disclosed |
| CN-102753522-A | Substituted pyrrolidine-2-carboxamides | HOFFMANN LA ROCHE | 2012-10-24 | — | — | CN | disclosed |
| CN-102159207-A | Substituted pyrrolidine-2-carboxamides | HOFFMANN LA ROCHE | 2011-08-17 | — | — | CN | disclosed |
| CN-101663303-A | Heteroaromatics, its preparation method with and uses thereof | SUN PIAOYANG | 2010-03-03 | — | — | CN | disclosed |
| CN-101384532-A | Method for producing optically active alcohol | KOTOBUKI PHARMACEUTICAL CO LTD (JP) | 2009-03-11 | — | — | CN | disclosed |
| CN-1476446-A | Benzodiazepine derivative | ֮����ʽ���� | 2004-02-18 | — | — | CN | disclosed |
| EP-1230210-A1 | AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-08-14 | — | — | EP | disclosed |
| WO-2001036375-A1 | AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-05-25 | — | — | WO | disclosed |