⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9951376 | 0.81 | ALDH1A1 (0.37) | — | |
| Iodide SCHEMBL28161167 | 0.79 | ALDH1A1 (0.36) | — | |
| Bromide SCHEMBL28286963 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL28166287 | 0.78 | MAPK1 (0.34) | — | |
| SCHEMBL13274470 | 0.78 | ALDH1A1 (0.46) | — | |
| SCHEMBL1184137 | 0.76 | — | — | |
| SCHEMBL27527449 | 0.76 | — | — | |
| SCHEMBL13541809 | 0.76 | CYP2C19 (0.33) | — | |
| SCHEMBL10235421 | 0.76 | MAPK1 (0.33) | — | |
| SCHEMBL24336172 | 0.75 | MAPK1 (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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113939522-B | Organosilane, ionic organosilane, film composition and film | 3M创新有限公司 | 2024-12-17 | — | — | CN | disclosed |
| WO-2023076626-A1 | RXFP1 AGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2023-05-04 | — | — | WO | disclosed |
| EP-3983418-A1 | ORGANOSILANE, IONIC ORGANOSILANE, MEMBRANE COMPOSITION, AND MEMBRANE | 3M Innovative Properties Company (US) | 2022-04-20 | — | — | EP | disclosed |
| WO-2021064141-A1 | INHIBITORS OF DUAL SPECIFICITY TYROSINE PHOSPHORYLATION REGULATED KINASE 1B | TOLREMO THERAPEUTICS AG (CH) | 2021-04-08 | — | — | WO | disclosed |
| US-9908853-B2 | Inhibitors of peptidyl arginine deiminase (PAD) enzymes and uses thereof | THE HOSPITAL FOR SICK CHILDREN (CA) | 2018-03-06 | — | — | US | disclosed |
| US-20160023991-A1 | PPAR AGONISTS | SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) | 2016-01-28 | — | — | US | disclosed |
| US-20140243286-A1 | BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME | COFERON, INC. (US) | 2014-08-28 | — | — | US | disclosed |
| WO-2013033268-A2 | BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME | COFERON, INC. (US) | 2013-03-07 | — | — | WO | disclosed |
| WO-2013033270-A2 | BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME | COFERON, INC. (US) | 2013-03-07 | — | — | WO | disclosed |
| WO-2013033269-A1 | BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS AND METHODS OF USING SAME | COFERON, INC. (US) | 2013-03-07 | — | — | WO | disclosed |