⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28027936 | 0.85 | — | — | |
| SCHEMBL11768600 | 0.79 | ALDH1A1 (0.50) | — | |
| SCHEMBL27849415 | 0.77 | — | — | |
| SCHEMBL555458 | 0.76 | — | — | |
| SCHEMBL175249 | 0.75 | ALDH1A1 (0.67) | — | |
| SCHEMBL28027939 | 0.75 | ALDH1A1 (0.67) | — | |
| SCHEMBL15679128 | 0.73 | ALDH1A1 (0.48) | — | |
| SCHEMBL18153601 | 0.73 | JAK2 (0.51) | — | |
| SCHEMBL18153600 | 0.73 | JAK2 (0.51) | — | |
| SCHEMBL2170448 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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-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 |
| US-20150203499-A1 | 4-ALKOXY/ARALKOXY-5-SUBSTITUTED-PYRROLOPYRIMIDINE COMPOUNDS AS TAK1 INHIBITORS IN DISEASE TREATMENT | ACLARIS THERAPEUTICS, INC. | 2015-07-23 | — | — | US | disclosed |