⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7985932 | 0.69 | — | — | |
| SCHEMBL11063185 | 0.69 | — | — | |
| SCHEMBL1016586 | 0.65 | — | — | |
| SCHEMBL6834247 | 0.65 | — | — | |
| SCHEMBL5156537 | 0.65 | — | — | |
| SCHEMBL14028184 | 0.61 | — | — | |
| SCHEMBL1124822 | 0.61 | — | — | |
| SCHEMBL16475655 | 0.60 | — | — | |
| SCHEMBL17521750 | 0.60 | — | — | |
| SCHEMBL3138840 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108558889-A | Bu Luomo structural domain inhibitor | 赛尔基因昆蒂赛尔研究公司 | 2018-09-21 | — | — | CN | disclosed |
| WO-2004069829-A1 | (2S)-2-((PYRIMIDIN-4-YL)AMINO)-4-METHYLPENTANOIC ACID AMINOETHYLAMID DERIVATIVES AS IL-8 RECEPTOR MODULATORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND RHEUMATOID ARTHRITIS | PHARMACOPEIA DRUG DISCOVERY, INC. (US) | 2004-08-19 | — | — | WO | disclosed |