⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6672443 | 0.82 | — | — | |
| SCHEMBL256680 | 0.73 | — | — | |
| SCHEMBL10271243 | 0.73 | ALDH1A1 (0.36) | — | |
| SCHEMBL3855797 | 0.71 | — | — | |
| SCHEMBL256684 | 0.71 | — | — | |
| SCHEMBL14385410 | 0.71 | L3MBTL1 (0.38) | — | |
| SCHEMBL24768136 | 0.71 | L3MBTL1 (0.32) | — | |
| SCHEMBL22060994 | 0.70 | MAPK1 (0.37) | — | |
| SCHEMBL20350248 | 0.70 | MAPK1 (0.33) | — | |
| SCHEMBL24514911 | 0.68 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115551862-B | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2024-04-12 | — | — | CN | disclosed |
| CN-115551862-A | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2022-12-30 | — | — | CN | disclosed |
| US-20120149743-A9 | Selenophene and Selenazole Carboxylic Acid Derivatives | IRONWOOD PHARMACEUTICALS, INC (US) | 2012-06-14 | — | — | US | disclosed |
| US-20110275683-A1 | Selenophene and Selenazole Carboxylic Acid Derivatives | IRONWOOD PHARMACEUTICALS, INC (US) | 2011-11-10 | — | — | US | disclosed |