⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22016552 | 0.94 | PIK3CA (0.31) | — | |
| SCHEMBL22016840 | 0.91 | PIK3CA (0.31) | — | |
| SCHEMBL21955223 | 0.89 | ITGB1 (0.31) | — | |
| SCHEMBL21955219 | 0.89 | ITGB1 (0.31) | — | |
| SCHEMBL21955222 | 0.89 | ITGB1 (0.31) | — | |
| SCHEMBL22017396 | 0.88 | RAF1 (0.31) | — | |
| SCHEMBL22017405 | 0.88 | ITGB1 (0.30) | — | |
| SCHEMBL22017191 | 0.88 | ITGB1 (0.31) | — | |
| SCHEMBL22016551 | 0.87 | ITGB1 (0.30) | — | |
| SCHEMBL22017733 | 0.87 | ITGB1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11224600-B2 | Compounds for inhibition of alpha 4 beta 7 integrin | GILEAD SCIENCES, INC. (US) | 2022-01-18 | — | — | US | disclosed |
| US-20200155563-A1 | COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN | GILEAD SCIENCES, INC. | 2020-05-21 | — | — | US | disclosed |