⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5560875 | 0.82 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL698791 | 0.81 | — | — | |
| SCHEMBL15440113 | 0.79 | TSHR (0.34) | — | |
| SCHEMBL18326712 | 0.79 | — | — | |
| SCHEMBL1003004 | 0.79 | — | — | |
| SCHEMBL8058637 | 0.79 | CA1 (0.44) | — | |
| SCHEMBL7592824 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL14879874 | 0.78 | CA2 (0.39) | — | |
| Ethane SCHEMBL20838527 | 0.77 | TSHR (0.38) | — | |
| SCHEMBL8469000 | 0.77 | TSHR (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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107417719-B | Application of titanium chelate as reaction catalyst for synthesizing benzyl carbonate or diphenyl carbonate by ester exchange | 华东理工大学 | 2022-11-25 | — | — | CN | claimed |
| CN-107876092-A | The high stability titanium catalyst of ester exchange carbonate synthesis benzene methyl and diphenyl carbonate | 华东理工大学 | 2018-04-06 | — | — | CN | claimed |
| CN-107417719-A | A kind of titanium chelate catalyst for being used for carbonate synthesis benzene methyl and diphenyl carbonate | 华东理工大学 | 2017-12-01 | — | — | CN | claimed |
| WO-2013057196-A1 | PROCESS FOR THE PREPARATION OF CEFAMANDOLE NAFATE | DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) | 2013-04-25 | — | — | WO | claimed |
| CN-110809738-B | Composition for forming resist underlayer film with improved planarization | 日产化学株式会社 | 2021-04-20 | — | — | CN | disclosed |
| CN-107876092-A | The high stability titanium catalyst of ester exchange carbonate synthesis benzene methyl and diphenyl carbonate | 华东理工大学 | 2018-04-06 | — | — | CN | disclosed |
| CN-107417719-A | A kind of titanium chelate catalyst for being used for carbonate synthesis benzene methyl and diphenyl carbonate | 华东理工大学 | 2017-12-01 | — | — | CN | disclosed |
| CN-105277712-B | A kind of method for identifying the modification of lysine ε amino side chains monomethylation | 杭州景杰生物科技有限公司 | 2017-07-11 | — | — | CN | disclosed |
| WO-2013057197-A1 | PROCESS FOR THE FORMYLATION OF CEFAMANDOLE | DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) | 2013-04-25 | — | — | WO | disclosed |
| EP-2492332-A1 | Adhesive composition and adhesive dry film | Shin-Etsu Chemical Co., Ltd. (JP) | 2012-08-29 | — | — | EP | disclosed |
| EP-1179750-B1 | Positive photosensitive composition and method for producing a precision integrated circuit element using the same | FUJIFILM CORP (JP) | 2012-07-25 | — | — | EP | disclosed |
| EP-1699774-A1 | A NOVEL PROCESS FOR THE PREPARATION OF SIMVASTATIN | Hetero Drugs Limited (IN) | 2006-09-13 | — | — | EP | disclosed |
| WO-2005066150-A1 | A NOVEL PROCESS FOR THE PREPARATION OF SIMVASTATIN | HETERO DRUGS LIMITED (IN) | 2005-07-21 | — | — | WO | disclosed |
| CN-1232030-A | Process for producing simvastatin and/or its derivatives | SYNTHON BV (NL) | 1999-10-20 | — | — | CN | disclosed |
| US-4513005-A | SULFIDE OR SULFONE HYDROXY ACIDS | LILLY INDUSTRIES LIMITED (GB) | 1985-04-23 | — | — | US | disclosed |
| EP-0068739-B1 | SULPHUR-CONTAINING 5-HYDROXY-ALKANOIC ACID DERIVATIVES, THEIR USE AS PHARMACEUTICAL PREPARATIONS AND PROCESS FOR THEIR PRODUCTION | Lilly Industries Limited (GB) | 1984-11-14 | — | — | EP | disclosed |
| EP-0068739-A1 | Sulphur-containing 5-hydroxy-alkanoic acid derivatives, their use as pharmaceutical preparations and process for their production | Lilly Industries Limited (GB) | 1983-01-05 | — | — | EP | disclosed |