⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3870873 | 1.00 | — | — | |
| SCHEMBL9070548 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL15243104 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL1554307 | 0.79 | CNR1 (0.30) | — | |
| SCHEMBL28722546 | 0.79 | KDM4E (0.30) | — | |
| SCHEMBL14509494 | 0.77 | TSHR (0.38) | — | |
| SCHEMBL391777 | 0.75 | DGAT1 (0.36) | — | |
| SCHEMBL391778 | 0.75 | DGAT1 (0.36) | — | |
| SCHEMBL21521062 | 0.75 | DGAT1 (0.36) | — | |
| SCHEMBL29045960 | 0.75 | ATM (0.38) | — |
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-7598243-B2 | inhibit atherosclerotic lesion formation and pathological progression by impairing monocyte recruitment and differentiation in the arterial wall; antiinflammatory, anticarcinogenic agent; autoimmune diseases | MERCK & CO., INC. (US) | 2009-10-06 | — | — | US | disclosed |
| US-20080081803-A1 | Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity | MERCK SHARP & DOHME CORP. | 2008-04-03 | — | — | US | disclosed |