⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22061 | 0.82 | TDP1 (0.47) | — | |
| SCHEMBL28410047 | 0.79 | TDP1 (0.45) | — | |
| SCHEMBL6323180 | 0.79 | TDP1 (0.45) | — | |
| SCHEMBL28034276 | 0.79 | TDP1 (0.45) | — | |
| SCHEMBL692962 | 0.79 | TDP1 (0.45) | — | |
| SCHEMBL6550670 | 0.79 | TDP1 (0.45) | — | |
| SCHEMBL28873500 | 0.79 | TDP1 (0.45) | — | |
| SCHEMBL6518392 | 0.79 | TDP1 (0.45) | — | |
| SCHEMBL18229249 | 0.79 | TDP1 (0.45) | — | |
| SCHEMBL28034281 | 0.79 | TDP1 (0.45) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150065433-A1 | CYCLOSPORIN ANALOGS | ALLERGAN, INC. (US) | 2015-03-05 | — | — | US | claimed |
| EP-2627664-A1 | CYCLOSPORIN ANALOGS | Allergan, Inc. (US) | 2013-08-21 | — | — | EP | claimed |
| WO-2012051194-A1 | CYCLOSPORIN ANALOGS | ALLERGAN, INC. (US) | 2012-04-19 | — | — | WO | claimed |
| US-20120088734-A1 | Cyclosporin Analogs | ALLERGAN, INC. (US) | 2012-04-12 | — | — | US | claimed |
| US-10065992-B2 | Cyclosporin analogs | ALLERGAN, INC. (US) | 2018-09-04 | — | — | US | disclosed |
| EP-2627664-B1 | CYCLOSPORIN ANALOGS | ALLERGAN INC (US) | 2018-04-04 | — | — | EP | disclosed |
| US-20170029469-A1 | CYCLOSPORIN ANALOGS | ALLERGAN, INC. | 2017-02-02 | — | — | US | disclosed |
| US-9493511-B2 | Cyclosporin analogs | ALLERGAN, INC. (US) | 2016-11-15 | — | — | US | disclosed |
| US-20150065433-A1 | CYCLOSPORIN ANALOGS | ALLERGAN, INC. (US) | 2015-03-05 | — | — | US | disclosed |
| EP-2627664-A1 | CYCLOSPORIN ANALOGS | Allergan, Inc. (US) | 2013-08-21 | — | — | EP | disclosed |
| WO-2012051194-A1 | CYCLOSPORIN ANALOGS | ALLERGAN, INC. (US) | 2012-04-19 | — | — | WO | disclosed |
| US-20120088734-A1 | Cyclosporin Analogs | ALLERGAN, INC. (US) | 2012-04-12 | — | — | US | disclosed |