⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10273858 | 1.00 | — | — | |
| SCHEMBL3330177 | 0.84 | — | — | |
| SCHEMBL10273866 | 0.84 | — | — | |
| SCHEMBL10273867 | 0.84 | — | — | |
| SCHEMBL22018875 | 0.82 | LTA4H (0.42) | — | |
| Hydrochloric Acid SCHEMBL3442787 | 0.82 | CHRNA3 (0.44) | — | |
| SCHEMBL12464310 | 0.82 | LTA4H (0.42) | — | |
| Hydrochloric Acid SCHEMBL3442784 | 0.82 | CHRNA3 (0.44) | — | |
| Hydrochloric Acid SCHEMBL18700859 | 0.82 | CHRNA3 (0.44) | — | |
| SCHEMBL92618 | 0.81 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |