⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3268048 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL27970230 | 0.71 | SLC6A12 (0.35) | — | |
| SCHEMBL6361644 | 0.71 | — | — | |
| SCHEMBL1260258 | 0.66 | — | — | |
| SCHEMBL11520644 | 0.66 | — | — | |
| SCHEMBL3364714 | 0.66 | — | — | |
| SCHEMBL1487371 | 0.66 | ARG1 (0.33) | — | |
| SCHEMBL10760031 | 0.64 | — | — | |
| SCHEMBL10750833 | 0.63 | — | — | |
| SCHEMBL7792316 | 0.63 | — | — |
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-7910609-B2 | Inhibitors of integrin alpha2beta1 with modified urea moiety | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2011-03-22 | — | — | US | disclosed |
| US-20090197861-A1 | INHIBITORS OF INTEGRIN ALPHA2BETA1 WITH MODIFIED UREA MOIETY | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2009-08-06 | — | — | US | disclosed |