⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16286779 | 0.78 | HSD17B10 (0.37) | — | |
| SCHEMBL8645121 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL15557029 | 0.76 | LMNA (0.39) | — | |
| SCHEMBL29192740 | 0.74 | — | — | |
| SCHEMBL16287683 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL2899418 | 0.72 | — | — | |
| SCHEMBL27575640 | 0.70 | TSHR (0.31) | — | |
| SCHEMBL29287852 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL8215992 | 0.69 | LMNA (0.35) | — | |
| SCHEMBL1286179 | 0.69 | LMNA (0.35) | — |
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-5900491-A | Preparation process and purification process of cyclic ester | MITSUBISHI GAS CHEMICAL CO., INC. (JP) | 1999-05-04 | — | — | US | claimed |
| US-9975831-B2 | Method for producing ether compound | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2018-05-22 | — | — | US | disclosed |
| US-20150011799-A1 | METHOD FOR PRODUCING ETHER COMPOUND | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2015-01-08 | — | — | US | disclosed |
| EP-2813482-A1 | METHOD FOR PRODUCING ETHER COMPOUND | Takasago International Corporation (JP) | 2014-12-17 | — | — | EP | disclosed |
| EP-0834511-B1 | Preparation and purification process of cyclic ester | MITSUBISHI GAS CHEMICAL CO (JP) | 2004-05-12 | — | — | EP | disclosed |
| US-5900491-A | Preparation process and purification process of cyclic ester | MITSUBISHI GAS CHEMICAL CO., INC. (JP) | 1999-05-04 | — | — | US | disclosed |
| EP-0834511-A1 | Preparation and purification process of cyclic ester | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1998-04-08 | — | — | EP | disclosed |