⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22135167 | 0.80 | — | — | |
| SCHEMBL12028391 | 0.80 | — | — | |
| SCHEMBL27482136 | 0.76 | SLC7A5 (0.35) | — | |
| SCHEMBL17274554 | 0.74 | — | — | |
| SCHEMBL12590722 | 0.73 | — | — | |
| SCHEMBL1444571 | 0.73 | — | — | |
| SCHEMBL23750654 | 0.72 | — | — | |
| SCHEMBL21548436 | 0.72 | SLC7A5 (0.36) | — | |
| SCHEMBL11820984 | 0.71 | TP53 (0.33) | — | |
| SCHEMBL23811193 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0874846-B1 | PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION | NOVARTIS AG (CH) | 2003-04-02 | — | — | EP | claimed |
| US-20170253605-A1 | PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF | TOCOPHERX, INC. (US) | 2017-09-07 | — | — | US | disclosed |
| US-9505765-B2 | 4-alkoxy/aralkoxy-5-substituted-pyrrolopyrimidine compounds as TAK1 inhibitors in disease treatment | CONFLUENCE LIFE SCIENCES INC. (US) | 2016-11-29 | — | — | US | disclosed |
| US-20150203499-A1 | 4-ALKOXY/ARALKOXY-5-SUBSTITUTED-PYRROLOPYRIMIDINE COMPOUNDS AS TAK1 INHIBITORS IN DISEASE TREATMENT | ACLARIS THERAPEUTICS, INC. | 2015-07-23 | — | — | US | disclosed |