⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4876169 | 1.00 | — | — | |
| SCHEMBL14904413 | 1.00 | — | — | |
| SCHEMBL221749 | 0.87 | ALDH1A1 (0.50) | — | |
| SCHEMBL74779 | 0.87 | ALDH1A1 (0.50) | — | |
| SCHEMBL271027 | 0.87 | ALDH1A1 (0.50) | — | |
| SCHEMBL31508640 | 0.80 | ALDH1A1 (0.47) | — | |
| SCHEMBL14296530 | 0.80 | ALDH1A1 (0.47) | — | |
| SCHEMBL10500072 | 0.79 | TSHR (0.44) | — | |
| SCHEMBL10338824 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL10647271 | 0.79 | TSHR (0.44) | — |
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 13 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-20050227960-A1 | Substituted bicycloalkylamine derivatives as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY | 2005-10-13 | — | — | US | disclosed |
| US-20050192276-A1 | Substituted bicycloalkylamine derivatives as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY | 2005-09-01 | — | — | US | 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 |
| US-4835312-A | Production process of N-substituted amide compounds | MITSUI CHEMICALS, INCORPORATED (JP) | 1989-05-30 | — | — | US | disclosed |
| US-4212976-A | ANTIARTHRITIC AGENTS | MERCK & CO., INC. (US) | 1980-07-15 | — | — | US | disclosed |
| US-4203865-A | LEAD COMPOUND, ALKALI METAL COMPOUND, AND A HALOGENATED OLEFIN | PHILLIPS PETROLEUM COMPANY (US) | 1980-05-20 | — | — | US | disclosed |
| US-4100362-A | UNSATURATED ESTERS FROM CONJUGATED DIENE | PHILLIPS PETROLEUM COMPANY (US) | 1978-07-11 | — | — | US | disclosed |
| US-4099018-A | REACTION WITH CARBOXY COMPOUND, CATALYTIC LEAD COMPOUND | PHILLIPS PETROLEUM COMPANY (US) | 1978-07-04 | — | — | US | disclosed |
| US-4057637-A | RHEUMATOID ARTHRITIS | MERCK & CO., INC. (US) | 1977-11-08 | — | — | US | disclosed |
| US-3971797-A | ANTIARTHRITIC | MERCK & CO., INC. (US) | 1976-07-27 | — | — | US | disclosed |