⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1689369 | 0.84 | — | — | |
| SCHEMBL11974072 | 0.84 | — | — | |
| SCHEMBL17282487 | 0.79 | TYMP (0.37) | — | |
| SCHEMBL12284377 | 0.75 | SLC18A3 (0.37) | — | |
| SCHEMBL17931859 | 0.74 | — | — | |
| SCHEMBL14067220 | 0.72 | LTA4H (0.37) | — | |
| SCHEMBL102678 | 0.72 | — | — | |
| SCHEMBL18629967 | 0.72 | — | — | |
| SCHEMBL22280182 | 0.72 | — | — | |
| SCHEMBL22848395 | 0.72 | — | — |
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-20210284655-A1 | LIBRARIES OF HETEROARYL-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | CYCLENIUM PHARMA INC. (CA) | 2021-09-16 | — | — | US | disclosed |
| US-20210122763-A1 | OGA INHIBITOR COMPOUNDS | JANSSEN-CILAG S.A. (ES) | 2021-04-29 | — | — | US | disclosed |
| US-20130065882-A1 | VLA-4 inhibitory drug | MACHINAGA NOBUO (JP) | 2013-03-14 | — | — | US | disclosed |
| US-20120157437-A1 | VLA-4 INHIBITORY DRUG | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2012-06-21 | — | — | US | disclosed |
| US-8129366-B2 | VLA-4 inhibitory drug | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2012-03-06 | — | — | US | disclosed |
| US-20090233901-A1 | VLA-4 INHIBITORY DRUG | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2009-09-17 | — | — | US | disclosed |
| EP-1961750-A1 | VLA-4 INHIBITORY DRUG | Daiichi Sankyo Company, Limited (JP) | 2008-08-27 | — | — | EP | disclosed |