⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30279363 | 0.88 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL23978802 | 0.88 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL30279447 | 0.81 | GRM5 (0.41) | — | |
| SCHEMBL23978876 | 0.81 | GRM5 (0.41) | — | |
| SCHEMBL30279429 | 0.79 | EZH2 (0.32) | — | |
| SCHEMBL23978800 | 0.78 | MAPK1 (0.33) | — | |
| SCHEMBL23978727 | 0.76 | DHPS (0.48) | — | |
| SCHEMBL30279428 | 0.76 | DHPS (0.48) | — | |
| SCHEMBL10129824 | 0.75 | SMN1; SMN2 (0.45) | — | |
| SCHEMBL30279449 | 0.75 | SMN1; SMN2 (0.45) | — |
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-11643388-B2 | Inhibitors of alpha 2 beta 1 integrin and methods of use thereof | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2023-05-09 | — | — | US | disclosed |
| US-11643388-B2 | Inhibitors of alpha 2 beta 1 integrin and methods of use thereof | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2023-05-09 | — | — | US | disclosed |
| US-11643388-B2 | Inhibitors of alpha 2 beta 1 integrin and methods of use thereof | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2023-05-09 | — | — | US | disclosed |
| US-20220411366-A1 | INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2022-12-29 | — | — | US | disclosed |
| WO-2021222789-A1 | INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2021-11-04 | — | — | WO | disclosed |