⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2149027 | 0.77 | GNAO1 (0.39) | — | |
| SCHEMBL14479645 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL28699778 | 0.76 | GNAO1 (0.41) | — | |
| SCHEMBL91542 | 0.75 | — | — | |
| SCHEMBL91536 | 0.75 | — | — | |
| SCHEMBL3025233 | 0.73 | CYP1A2 (0.46) | — | |
| Hydrochloric Acid SCHEMBL71219 | 0.73 | — | — | |
| SCHEMBL12461290 | 0.73 | — | — | |
| SCHEMBL21743442 | 0.73 | SLC6A1 (0.37) | — | |
| SCHEMBL20028302 | 0.73 | SLC6A1 (0.37) | — |
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-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 |