⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL440477 | 0.74 | — | — | |
| SCHEMBL9251526 | 0.70 | — | — | |
| Ammonia Solution, Strong SCHEMBL10981538 | 0.70 | CA1 (0.36) | — | |
| SCHEMBL1982750 | 0.67 | — | — | |
| SCHEMBL11592669 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL844671 | 0.61 | — | — | |
| SCHEMBL10631417 | 0.61 | — | — | |
| SCHEMBL1843274 | 0.61 | — | — | |
| SCHEMBL1768123 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL3711208 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014034719-A1 | QUINOLINE DERIVATIVE HAVING TLR INHIBITORY ACTIVITY | 興和株式会社 (JP) | 2014-03-06 | — | — | WO | disclosed |
| US-20090298845-A1 | PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY | 2009-12-03 | — | — | US | disclosed |
| US-7615556-B2 | Piperazinyl derivatives as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-11-10 | — | — | US | disclosed |
| US-20070179148-A1 | PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY | 2007-08-02 | — | — | US | disclosed |