⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7037561 | 0.79 | — | — | |
| SCHEMBL721366 | 0.78 | — | — | |
| SCHEMBL148914 | 0.78 | — | — | |
| SCHEMBL29165409 | 0.74 | — | — | |
| SCHEMBL28662436 | 0.74 | — | — | |
| SCHEMBL29131062 | 0.74 | — | — | |
| Methyl Alcohol SCHEMBL28712278 | 0.70 | — | — | |
| SCHEMBL28984742 | 0.70 | — | — | |
| SCHEMBL11319167 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL9723500 | 0.67 | ALDH1A1 (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090042957-A1 | Substituted Oxyarenes | BAYER CROPSCIENCE AG (DE) | 2009-02-12 | — | — | US | claimed |
| US-8835470-B2 | Mandelamide heterocyclic compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-09-16 | — | — | US | disclosed |
| US-8629282-B2 | Heterocyclic compounds as S1P1 agonists for the treatment of autoimmune and vascular diseases | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-01-14 | — | — | US | disclosed |
| US-20130237566-A1 | HETEROCYCLIC COMPOUNDS AS S1P1 AGONISTS FOR THE TREATMENT OF AUTOIMMUNE AND VASCULAR DISEASES | BRISTOL=MYERS SQUIBB COMPANY | 2013-09-12 | — | — | US | disclosed |
| EP-2360155-A1 | 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY | Shionogi & Co., Ltd. (JP) | 2011-08-24 | — | — | EP | disclosed |
| US-20090042957-A1 | Substituted Oxyarenes | BAYER CROPSCIENCE AG (DE) | 2009-02-12 | — | — | US | disclosed |
| US-20030065117-A1 | Modified silicone compound, process of producing the same, and cured object obtained therefrom | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2003-04-03 | — | — | US | disclosed |