⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13732302 | 0.92 | — | — | |
| SCHEMBL16876013 | 0.82 | — | — | |
| SCHEMBL21488423 | 0.78 | — | — | |
| SCHEMBL27224997 | 0.75 | — | — | |
| SCHEMBL27225038 | 0.73 | — | — | |
| SCHEMBL1139842 | 0.71 | FFAR3 (0.35) | — | |
| SCHEMBL3143115 | 0.71 | — | — | |
| SCHEMBL27036712 | 0.71 | — | — | |
| SCHEMBL18075842 | 0.69 | — | — | |
| SCHEMBL27225166 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9572811-B2 | Treatment of dry eye | PRINCIPIA BIOPHARMA INC. (US) | 2017-02-21 | — | — | US | disclosed |
| US-20160045503-A1 | FORMULATIONS CONTAINING REVERSIBLE COVALENT COMPOUNDS | PRINCIPIA BIOPHARMA INC. | 2016-02-18 | — | — | US | disclosed |
| US-20150182530-A1 | TREATMENT OF DRY EYE | PRINCIPIA BIOPHARMA INC. (US) | 2015-07-02 | — | — | US | disclosed |
| US-20140303190-A1 | TYROSINE KINASE INHIBITORS | PRINCIPIA BIOPHARMA INC. (US) | 2014-10-09 | — | — | US | disclosed |
| US-7795267-B2 | Bicyclic piperazine compound having TGR23 antagonistic activity | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-09-14 | — | — | US | disclosed |
| US-20070072865-A1 | Bicyclic piperazine compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-03-29 | — | — | US | disclosed |
| EP-1661898-A1 | BICYCLIC PIPERAZINE COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2006-05-31 | — | — | EP | disclosed |