⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6825351 | 1.00 | — | — | |
| SCHEMBL5674209 | 1.00 | — | — | |
| SCHEMBL5674199 | 1.00 | — | — | |
| SCHEMBL600255 | 0.84 | SMYD3 (0.33) | — | |
| SCHEMBL15297581 | 0.84 | — | — | |
| SCHEMBL25149963 | 0.84 | SMYD3 (0.33) | — | |
| SCHEMBL600254 | 0.84 | SMYD3 (0.33) | — | |
| SCHEMBL12464408 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL4171485 | 0.82 | GNAI3 (0.33) | — | |
| Hydrochloric Acid SCHEMBL21072591 | 0.82 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7037916-B2 | Pyrimidine derivatives as IL-8 receptor antagonists | PHARMACOPEIA DRUG DISCOVERY, INC. (US) | 2006-05-02 | — | — | US | disclosed |
| WO-2004062609-A2 | PYRIMIDINE DERIVATIVES AS IL-8 RECEPTOR ANTAGONISTS | PHARMACOPEIA, INC. (US) | 2004-07-29 | — | — | WO | disclosed |
| US-20040087601-A1 | Pyrimidine derivatives as IL-8 receptor antagonists | PHARMACOPEIA, LLC | 2004-05-06 | — | — | US | disclosed |