⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11670427 | 0.77 | — | — | |
| SCHEMBL1241816 | 0.74 | — | — | |
| SCHEMBL11798220 | 0.74 | SAT1 (0.57) | — | |
| SCHEMBL1159492 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL1423725 | 0.72 | TSHR (0.37) | — | |
| Iodide SCHEMBL9422924 | 0.72 | TSHR (0.37) | — | |
| SCHEMBL24425890 | 0.71 | SAT1 (0.40) | — | |
| SCHEMBL1195951 | 0.70 | — | — | |
| SCHEMBL9314037 | 0.70 | — | — | |
| SCHEMBL8640163 | 0.70 | SAT1 (0.48) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7381738-B2 | Substituted bicycloalkylamine derivatives as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-06-03 | — | — | US | disclosed |
| US-7288563-B2 | Substituted bicycloalkylamine derivatives as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-10-30 | — | — | US | disclosed |
| US-7230022-B2 | Substituted fused bicyclic amines as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-06-12 | — | — | US | disclosed |
| US-20050227960-A1 | Substituted bicycloalkylamine derivatives as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY | 2005-10-13 | — | — | US | disclosed |
| US-20050197373-A1 | Substituted fused bicyclic amines as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY | 2005-09-08 | — | — | US | disclosed |
| US-20050192276-A1 | Substituted bicycloalkylamine derivatives as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY | 2005-09-01 | — | — | US | disclosed |
| WO-2005079497-A2 | SUBSTITUTED FUSED BICYCLIC AMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-09-01 | — | — | WO | disclosed |
| WO-2005079496-A2 | SUBSTITUTED BICYCLOALKYLAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-09-01 | — | — | WO | disclosed |
| WO-2005079519-A2 | SUBSTITUTED BICYCLOALKYLAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-09-01 | — | — | WO | disclosed |