⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14096765 | 0.79 | TSHR (0.35) | — | |
| SCHEMBL9498303 | 0.76 | — | — | |
| SCHEMBL11081134 | 0.76 | — | — | |
| SCHEMBL7827160 | 0.71 | — | — | |
| SCHEMBL14311963 | 0.70 | TSHR (0.47) | — | |
| SCHEMBL12074531 | 0.69 | GABRP (0.32) | — | |
| SCHEMBL12043319 | 0.69 | CHRM2 (0.42) | — | |
| SCHEMBL9499563 | 0.69 | CHRM2 (0.42) | — | |
| SCHEMBL8057972 | 0.67 | HTR2C (0.59) | — | |
| SCHEMBL7815577 | 0.67 | SIGMAR1 (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 7 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 |
| WO-2007066784-A2 | DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2007-06-14 | — | — | WO | 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 |