⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3977045 | 1.00 | — | — | |
| SCHEMBL11937917 | 1.00 | — | — | |
| SCHEMBL21090078 | 0.93 | ALDH1A1 (0.50) | — | |
| SCHEMBL1899759 | 0.85 | ALDH1A1 (0.47) | — | |
| SCHEMBL14842937 | 0.85 | ALDH1A1 (0.47) | — | |
| SCHEMBL13784843 | 0.84 | TRPA1 (0.42) | — | |
| Ethylene SCHEMBL11644945 | 0.79 | ALDH1A1 (0.42) | — | |
| Carbamic Acid SCHEMBL28862996 | 0.79 | ALDH1A1 (0.48) | — | |
| Carbamic Acid SCHEMBL28337520 | 0.79 | ALDH1A1 (0.48) | — | |
| Carbamic Acid SCHEMBL28129659 | 0.79 | ALDH1A1 (0.48) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170291870-A1 | SURFACTANT-CONTAINING AMIDE COMPOUND SOLUTION | MITSUBISHI RAYON CO., LTD. (JP) | 2017-10-12 | — | — | US | disclosed |
| EP-2056798-A2 | SORBIC ACID ANALOG CO-CRYSTALS | Amgen, Inc (US) | 2009-05-13 | — | — | EP | disclosed |
| US-20090098130-A1 | GLUCAGON-LIKE PROTEIN-1 RECEPTOR (GLP-1R) AGONIST COMPOUNDS | COVX TECHNOLOGIES IRELAND LIMITED (IE) | 2009-04-16 | — | — | US | disclosed |
| US-20090098130-A1 | GLUCAGON-LIKE PROTEIN-1 RECEPTOR (GLP-1R) AGONIST COMPOUNDS | COVX TECHNOLOGIES IRELAND LIMITED (IE) | 2009-04-16 | — | — | US | disclosed |
| WO-2008024437-A2 | SORBIC ACID ANALOG CO-CRYSTALS | AMGEN INC. (US) | 2008-02-28 | — | — | WO | disclosed |
| US-20080051453-A1 | Sorbic acid analog co-crystals | AMGEN INC. | 2008-02-28 | — | — | US | disclosed |
| US-3984478-A | TREATING AN UNSATURATED COMPOUND WITH CARBON MONOXIDE IN A HETEROGENEOUS CATALYST | UNIVERSAL OIL PRODUCTS COMPANY (US) | 1976-10-05 | — | — | US | disclosed |