⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14122608 | 0.83 | CHRM2 (0.39) | — | |
| SCHEMBL7423912 | 0.80 | BTK (0.31) | — | |
| SCHEMBL4890797 | 0.80 | BTK (0.31) | — | |
| SCHEMBL4904084 | 0.78 | — | — | |
| SCHEMBL5153248 | 0.75 | PPM1D (0.31) | — | |
| SCHEMBL6488743 | 0.75 | BTK (0.33) | — | |
| SCHEMBL2434403 | 0.74 | BTK (0.31) | — | |
| SCHEMBL6320796 | 0.74 | BTK (0.31) | — | |
| SCHEMBL14122626 | 0.73 | CHRM3 (0.34) | — | |
| SCHEMBL4011681 | 0.73 | HPGD (0.30) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070054909-A1 | VLA-4 inhibitor compounds | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2007-03-08 | — | — | US | disclosed |
| US-7179819-B2 | VLA-4 inhibitor compounds | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2007-02-20 | — | — | US | disclosed |
| US-20040229858-A1 | VLA-4 inhibitor compounds | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2004-11-18 | — | — | US | disclosed |
| US-6756378-B2 | BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) | PHARMACOPEIA DRUG DISCOVERY, INC. | 2004-06-29 | — | — | US | disclosed |
| US-20030078249-A1 | VLA-4 inhibitor compounds | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2003-04-24 | — | — | US | disclosed |