⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11445039 | 0.80 | — | — | |
| SCHEMBL3322875 | 0.78 | — | — | |
| SCHEMBL10528427 | 0.78 | — | — | |
| SCHEMBL27831991 | 0.78 | — | — | |
| SCHEMBL23890476 | 0.78 | — | — | |
| SCHEMBL6545978 | 0.75 | — | — | |
| SCHEMBL28807937 | 0.75 | — | — | |
| SCHEMBL27832083 | 0.75 | — | — | |
| SCHEMBL9139324 | 0.73 | — | — | |
| SCHEMBL25463415 | 0.73 | CYP3A4 (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3778575-A1 | MODULATORS OF THE INTEGRATED STRESS PATHWAY | Calico Life Sciences LLC (US) | 2021-02-17 | — | — | EP | disclosed |
| US-20200039972-A1 | INHIBITORS OF JUN N-TERMINAL KINASE | IMAGO PHARMACEUTICALS, INC. (US) | 2020-02-06 | — | — | US | disclosed |
| US-20100247938-A1 | MATERIAL FOR THREE-DIMENSIONAL MODELING, PROCESS FOR PRODUCING THREE-DIMENSIONAL MODEL, AND THREE-DIMENSIONAL MODEL | FUJIFILM CORPORATION (JP) | 2010-09-30 | — | — | US | disclosed |
| WO-2010054253-A1 | TRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES | BIOTIE THERAPIES GMBH (DE) | 2010-05-14 | — | — | WO | disclosed |
| US-20100120762-A1 | Triazine derivatives as inhibitors of phosphodiesterases | WYETH (US) | 2010-05-13 | — | — | US | disclosed |