⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17134206 | 0.85 | — | — | |
| SCHEMBL17134010 | 0.83 | — | — | |
| SCHEMBL3164650 | 0.80 | — | — | |
| SCHEMBL3603367 | 0.77 | TAAR1 (0.33) | — | |
| SCHEMBL3608914 | 0.77 | TAAR1 (0.33) | — | |
| SCHEMBL3616684 | 0.77 | TAAR1 (0.33) | — | |
| SCHEMBL28049245 | 0.74 | — | — | |
| SCHEMBL230025 | 0.73 | — | — | |
| SCHEMBL128086 | 0.72 | TAAR1 (0.35) | — | |
| SCHEMBL6641407 | 0.72 | SLC6A2 (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1092659-C | Novel pyrimidine derivative | OTSUKA PHARMA CO LTD (JP) | 2002-10-16 | — | — | CN | disclosed |
| US-6197774-B1 | THERAPY FOR ASTHMA, SKIN DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2001-03-06 | — | — | US | disclosed |
| EP-1019501-A1 | NOVEL PYRIMIDINE DERIVATIVE | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2000-07-19 | — | — | EP | disclosed |
| CN-1250450-A | Novel pyrimidine derivative | OTSUKA PHARMA CO LTD (JP) | 2000-04-12 | — | — | CN | disclosed |
| WO-1998041526-A1 | NOVEL PYRIMIDINE DERIVATIVE | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1998-09-24 | — | — | WO | disclosed |