⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6612499 | 0.90 | — | — | |
| SCHEMBL25010764 | 0.83 | — | — | |
| SCHEMBL19599020 | 0.81 | PLG (0.31) | — | |
| SCHEMBL17501499 | 0.81 | PLG (0.31) | — | |
| SCHEMBL3940833 | 0.81 | HRH4 (0.38) | — | |
| SCHEMBL13406456 | 0.79 | GBA1 (0.40) | — | |
| SCHEMBL6476895 | 0.79 | — | — | |
| SCHEMBL18925951 | 0.75 | HRH3 (0.48) | — | |
| SCHEMBL9220394 | 0.74 | — | — | |
| SCHEMBL7053027 | 0.73 | HRH3 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10683293-B2 | Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases | NUEVOLUTION A/S (DK) | 2020-06-16 | — | — | US | disclosed |
| US-20170342074-A1 | OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES | NUEVOLUTION A/S (DK) | 2017-11-30 | — | — | US | disclosed |