⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17344742 | 0.87 | — | — | |
| SCHEMBL12992487 | 0.79 | NR1I2 (0.34) | — | |
| SCHEMBL12533369 | 0.78 | HTR4 (0.33) | — | |
| SCHEMBL13085643 | 0.76 | POLB (0.36) | — | |
| SCHEMBL13241848 | 0.75 | CYP1A2 (0.30) | — | |
| SCHEMBL19297008 | 0.74 | HTR2C (0.33) | — | |
| SCHEMBL17348470 | 0.73 | PDE4A (0.32) | — | |
| SCHEMBL16807804 | 0.72 | PARP1 (0.41) | — | |
| SCHEMBL12533408 | 0.72 | PARP1 (0.31) | — | |
| SCHEMBL19297065 | 0.71 | MAPT (0.33) | — |
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 |