⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14119293 | 0.81 | — | — | |
| SCHEMBL8997578 | 0.59 | RAB9A (0.37) | — | |
| SCHEMBL9409680 | 0.59 | — | — | |
| SCHEMBL3022052 | 0.58 | CYP19A1 (0.36) | — | |
| SCHEMBL24478760 | 0.57 | — | — | |
| SCHEMBL1629499 | 0.57 | ADORA2B (0.39) | — | |
| SCHEMBL9378682 | 0.56 | CYP19A1 (0.34) | — | |
| SCHEMBL8560853 | 0.55 | ADORA2B (0.36) | — | |
| SCHEMBL3024718 | 0.54 | POLB (0.42) | — | |
| SCHEMBL22899000 | 0.54 | ADORA2B (0.49) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8614241-B2 | Ester compound and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2013-12-24 | — | — | US | disclosed |
| US-8530669-B2 | Ester compound and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2013-09-10 | — | — | US | disclosed |
| CN-103038220-A | Ester compound and use thereof | SUMITOMO CHEMICAL CO | 2013-04-10 | — | — | CN | disclosed |
| US-20130079378-A1 | ESTER COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2013-03-28 | — | — | US | disclosed |
| EP-2552896-A1 | ESTER COMPOUND AND USE THEREOF | Sumitomo Chemical Company Limited (JP) | 2013-02-06 | — | — | EP | disclosed |
| EP-2539324-A2 | ESTER COMPOUND AND USE THEREOF | Sumitomo Chemical Co., Ltd (JP) | 2013-01-02 | — | — | EP | disclosed |
| US-20120309802-A1 | ESTER COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-12-06 | — | — | US | disclosed |
| WO-2011122505-A1 | ESTER COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-10-06 | — | — | WO | disclosed |
| WO-2011105523-A2 | ESTER COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-09-01 | — | — | WO | disclosed |