⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9686747 | 0.81 | L3MBTL1 (0.38) | — | |
| SCHEMBL14423078 | 0.81 | — | — | |
| SCHEMBL19546254 | 0.78 | F2 (0.38) | — | |
| SCHEMBL9834992 | 0.78 | F2 (0.38) | — | |
| SCHEMBL3370791 | 0.76 | INMT (0.33) | — | |
| SCHEMBL8597006 | 0.76 | ALDH1A1 (0.44) | — | |
| SCHEMBL17898499 | 0.75 | — | — | |
| SCHEMBL22519203 | 0.75 | PIK3CD (0.39) | — | |
| SCHEMBL14453735 | 0.75 | PIK3CD (0.48) | — | |
| SCHEMBL5755608 | 0.74 | MGLL (0.43) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160195532-A1 | Targeted Covalent Probes and Inhibitors of Proteins Containing Redox-Sensitive Cysteines | THE SCRIPPS RESEARCH INSTITUTE | 2016-07-07 | — | — | US | disclosed |
| WO-2014089546-A1 | TARGETED COVALENT PROBES AND INHIBITORS OF PROTEINS CONTAINING REDOX-SENSITIVE CYSTEINES | THE SCRIPPS RESEARCH INSTITUTE (US) | 2014-06-12 | — | — | WO | disclosed |
| WO-2005003124-A1 | HETEROCYCLIC SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-01-13 | — | — | WO | disclosed |