⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21360174 | 1.00 | — | — | |
| SCHEMBL28131540 | 1.00 | — | — | |
| SCHEMBL20016787 | 1.00 | — | — | |
| SCHEMBL12321729 | 1.00 | — | — | |
| SCHEMBL19374658 | 0.80 | — | — | |
| SCHEMBL20093549 | 0.80 | — | — | |
| SCHEMBL26861778 | 0.78 | — | — | |
| SCHEMBL24770484 | 0.77 | TRPA1 (0.32) | — | |
| SCHEMBL10296913 | 0.77 | TRPA1 (0.32) | — | |
| SCHEMBL15534192 | 0.77 | TRPA1 (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170050942-A1 | 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS | INCYTE CORP (US) | 2017-02-23 | — | — | US | disclosed |
| US-20150231114-A1 | 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS | PFIZER (US) | 2015-08-20 | — | — | US | disclosed |
| US-20140155377-A1 | 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS | INCYTE CORPORATION (US) | 2014-06-05 | — | — | US | disclosed |