⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14435887 | 1.00 | — | — | |
| SCHEMBL1177521 | 0.79 | — | — | |
| SCHEMBL18569420 | 0.79 | — | — | |
| SCHEMBL3644434 | 0.79 | — | — | |
| SCHEMBL16258871 | 0.76 | — | — | |
| SCHEMBL17254334 | 0.74 | — | — | |
| SCHEMBL23775629 | 0.72 | — | — | |
| SCHEMBL146686 | 0.72 | — | — | |
| SCHEMBL18569701 | 0.72 | — | — | |
| SCHEMBL19479635 | 0.72 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9416080-B2 | Catalytic C—H bond activation | GEORGETOWN UNIVERSITY (US) | 2016-08-16 | — | — | US | disclosed |
| US-9376438-B2 | Pyrazolopyrimidine derivatives as tyrosine kinase inhibitors | PRINCIPIA BIOPHARMA, INC. (US) | 2016-06-28 | — | — | US | disclosed |
| US-20150353557-A1 | TYROSINE KINASE INHIBITORS | PRINCIPIA BIOPHARMA INC. (US) | 2015-12-10 | — | — | US | disclosed |
| US-20150321982-A1 | Catalytic C-H Bond Activation | NATIONAL SCIENCE FOUNDATION | 2015-11-12 | — | — | US | disclosed |
| US-8957080-B2 | Tyrosine kinase inhibitors | PRINCIPIA BIOPHARMA INC. (US) | 2015-02-17 | — | — | US | disclosed |
| US-8946241-B2 | Tyrosine kinase inhibitors | PRINCIPIA BIOPHARMA INC. (US) | 2015-02-03 | — | — | US | disclosed |
| US-8895781-B2 | Transition metal-catalyzed C—H amination using unactivated amines | GEORGETOWN UNIVERSITY (US) | 2014-11-25 | — | — | US | disclosed |
| US-20140221398-A1 | PYRAZOLOPYRIMIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS | PRINCIPIA BIOPHARMA INC. (US) | 2014-08-07 | — | — | US | disclosed |