⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15958473 | 1.00 | — | — | |
| SCHEMBL14879924 | 1.00 | — | — | |
| SCHEMBL16877928 | 0.95 | KDM4E (0.33) | — | |
| SCHEMBL16877358 | 0.90 | SLC6A2 (0.39) | — | |
| SCHEMBL785589 | 0.90 | SLC6A2 (0.39) | — | |
| SCHEMBL2537123 | 0.87 | — | — | |
| SCHEMBL31555201 | 0.87 | — | — | |
| SCHEMBL31555200 | 0.87 | — | — | |
| Oxalic Acid SCHEMBL21797020 | 0.87 | SLC6A2 (0.33) | — | |
| Oxalic Acid SCHEMBL21797021 | 0.87 | SLC6A2 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2867238-B1 | PHENYL AMINO PYRIMIDINE BICYCLIC COMPOUNDS AND USES THEREOF | YM BIOSCIENCES AUSTRALIA PTY (AU) | 2017-08-09 | — | — | EP | disclosed |
| US-8809359-B2 | Phenyl amino pyrimidine bicyclic compounds and uses thereof | YM BIOSCIENCES AUSTRALIA PTY LTD (US) | 2014-08-19 | — | — | US | disclosed |