⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3262645 | 0.67 | — | — | |
| Formaldehyde SCHEMBL4776726 | 0.62 | — | — | |
| SCHEMBL11909690 | 0.50 | — | — | |
| SCHEMBL2406649 | 0.50 | — | — | |
| SCHEMBL5407441 | 0.50 | — | — | |
| SCHEMBL23089736 | 0.49 | — | — | |
| SCHEMBL21834894 | 0.49 | — | — | |
| SCHEMBL604418 | 0.49 | — | — | |
| SCHEMBL4401847 | 0.49 | — | — | |
| SCHEMBL828277 | 0.46 | — | — |
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-6506777-B1 | Method for modulation of CCR-3 or CCR-5 chemokine receptor activity in a mammal in need thereof to treat asthma, allergic rhinitis, dermatitis, conjunctivitis, atherosclerosis or rheumatoid arthritis, which comprises the administration of an | MERCK & CO., INC. | 2003-01-14 | — | — | US | disclosed |
| WO-2000076513-A1 | CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-12-21 | — | — | WO | disclosed |
| US-5113003-A | Silicon modified phenolic resins, photosensitivity | LOCTITE (IRELAND) LIMITED (IE) | 1992-05-12 | — | — | US | disclosed |
| EP-0448334-A2 | Silicon-containing phenoxy ethers, polymers thereof, and use of such polymers | LOCTITE (IRELAND) Ltd. (IE) | 1991-09-25 | — | — | EP | disclosed |