⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14886407 | 0.76 | TDP1 (0.41) | — | |
| SCHEMBL6002134 | 0.75 | — | — | |
| SCHEMBL7112832 | 0.75 | — | — | |
| SCHEMBL108375 | 0.73 | — | — | |
| SCHEMBL134267 | 0.73 | — | — | |
| SCHEMBL9517162 | 0.73 | — | — | |
| SCHEMBL15355728 | 0.72 | — | — | |
| SCHEMBL15648054 | 0.72 | — | — | |
| SCHEMBL24128 | 0.72 | — | — | |
| SCHEMBL1514891 | 0.72 | FFAR3 (0.53) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8501781-B2 | Heteroarylpiperidine and -piperazine derivatives | BAYER CROPSCIENCE AG (DE) | 2013-08-06 | — | — | US | disclosed |
| CN-101323192-B | Gas barrier film and organic device using the same | FUJI PHOTO FILM CO LTD | 2012-09-26 | — | — | CN | disclosed |
| US-20110306620-A1 | Heteroarylpiperidine And-Piperazine Derivatives | BAYER CROPSCIENCE AG (DE) | 2011-12-15 | — | — | US | disclosed |
| US-7569579-B2 | for inhibition of HIV replication and treatment of acquired immune deficiency syndrome | SMITHKLINE BEECHAM CORPORATION (US) | 2009-08-04 | — | — | US | disclosed |
| US-7531661-B2 | Indane compounds as CCR5 antagonists | SMITHKLINE BEECHAM CORPORATION (US) | 2009-05-12 | — | — | US | disclosed |
| CN-101323192-A | Gas barrier film and organic device using the same | FUJIFILM CORP (JP) | 2008-12-17 | — | — | CN | disclosed |