⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL102281 | 0.82 | KMT2A (0.41) | — | |
| SCHEMBL17718799 | 0.75 | KMT2A (0.37) | — | |
| SCHEMBL13086714 | 0.75 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL19543019 | 0.72 | HTR7 (0.34) | — | |
| SCHEMBL11840677 | 0.72 | — | — | |
| SCHEMBL12092353 | 0.72 | HTR7 (0.34) | — | |
| SCHEMBL19543661 | 0.72 | HTR7 (0.34) | — | |
| SCHEMBL2721284 | 0.70 | — | — | |
| SCHEMBL736240 | 0.69 | HTT (0.41) | — | |
| SCHEMBL29393426 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170239190-A1 | MODIFIED ALGINATES FOR CELL ENCAPSULATION AND CELL THERAPY | THE CHILDREN'S MEDICAL CENTER CORPORATION | 2017-08-24 | — | — | US | disclosed |
| US-9493412-B2 | Pyrrolinone carboxamide compounds useful as endothelial lipase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-11-15 | — | — | US | disclosed |
| US-9458463-B2 | Method for treatment of diabetes by a small molecule inhibitor for GRK5 | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2016-10-04 | — | — | US | disclosed |
| US-20140228321-A1 | PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-08-14 | — | — | US | disclosed |
| US-20120122840-A1 | COMPOUNDS AND THERAPEUTIC USES THEREOF | MYREXIS, INC. (US) | 2012-05-17 | — | — | US | disclosed |