⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21890126 | 0.67 | CHRM2 (0.34) | — | |
| SCHEMBL11277967 | 0.67 | — | — | |
| SCHEMBL9912055 | 0.65 | — | — | |
| SCHEMBL25940 | 0.65 | — | — | |
| SCHEMBL14275874 | 0.61 | — | — | |
| SCHEMBL17347866 | 0.61 | — | — | |
| SCHEMBL1929833 | 0.61 | — | — | |
| SCHEMBL17335939 | 0.61 | — | — | |
| SCHEMBL1929832 | 0.61 | — | — | |
| SCHEMBL14275872 | 0.61 | — | — |
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-20140323477-A1 | SERINE/THREONINE KINASE INHIBITORS | GENENTECH, INC. (US) | 2014-10-30 | — | — | US | claimed |
| US-20140323478-A1 | SERINE/THREONINE KINASE INHIBITORS | AFRAXIS HOLDINGS, INC. (US) | 2014-10-30 | — | — | US | claimed |
| US-20150031674-A1 | SERINE/THREONINE KINASE INHIBITORS | GENENTECH, INC. (US) | 2015-01-29 | — | — | US | disclosed |
| WO-2014179498-A1 | SERINE/THREONINE KINASE INHIBITORS | GENENTECH, INC. (US) | 2014-11-06 | — | — | WO | disclosed |
| WO-2014179496-A1 | SERINE/THREONINE KINASE INHIBITORS | AFRAXIS HOLDINGS, INC. (US) | 2014-11-06 | — | — | WO | disclosed |
| US-20140323477-A1 | SERINE/THREONINE KINASE INHIBITORS | GENENTECH, INC. (US) | 2014-10-30 | — | — | US | disclosed |
| US-20140323478-A1 | SERINE/THREONINE KINASE INHIBITORS | AFRAXIS HOLDINGS, INC. (US) | 2014-10-30 | — | — | US | disclosed |