⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15478359 | 0.62 | CCR1 (0.38) | — | |
| SCHEMBL18896009 | 0.59 | CCR1 (0.48) | — | |
| SCHEMBL14419960 | 0.59 | DRD2 (0.37) | — | |
| SCHEMBL190531 | 0.48 | CES2 (0.50) | — | |
| SCHEMBL6960653 | 0.46 | HTR2B (0.41) | — | |
| SCHEMBL28559337 | 0.45 | SORT1 (0.32) | — | |
| SCHEMBL28575095 | 0.45 | SORT1 (0.32) | — | |
| SCHEMBL3465063 | 0.45 | MEN1 (0.69) | — | |
| SCHEMBL21621144 | 0.45 | HSD17B10 (0.38) | — | |
| SCHEMBL25202742 | 0.45 | SORT1 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160031908-A1 | CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2016-02-04 | — | — | US | disclosed |
| US-20140371207-A1 | CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF | KYOWA HAKKO KIRIN CO., LTD. (JP) | 2014-12-18 | — | — | US | disclosed |