⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10831464 | 1.00 | — | — | |
| SCHEMBL11061200 | 0.75 | — | — | |
| SCHEMBL11061201 | 0.75 | — | — | |
| SCHEMBL10640307 | 0.73 | — | — | |
| SCHEMBL10640313 | 0.73 | — | — | |
| SCHEMBL3434190 | 0.71 | — | — | |
| SCHEMBL11027770 | 0.70 | — | — | |
| SCHEMBL1204458 | 0.70 | — | — | |
| SCHEMBL1204457 | 0.70 | — | — | |
| SCHEMBL2333020 | 0.70 | TSHR (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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0025119-B1 | NEMATIC CRYSTALLINE-LIQUID 5-ALKYL-2-(4-ACYLOXYPHENYL)-PYRIMIDINES FOR OPTO-ELECTRONIC ARRANGEMENTS AND PROCESS FOR THEIR PREPARATION | VEB Werk Für Fernsehelektronik im VEB Kombinat Mikroelektronik (DD) | 1983-05-25 | — | — | EP | claimed |
| JP-61167671-A | — | — | None | — | — | JP | disclosed |
| JP-61271279-A | — | — | None | — | — | JP | disclosed |
| EP-0456793-B1 | HALOPHENYL SUBSTITUTED HETEROCYCLIC DERIVATIVES | MERCK PATENT GMBH (DE) | 1996-10-23 | — | — | EP | disclosed |
| WO-1991009016-A2 | HALOPHENYL SUBSTITUTED HETEROCYCLIC DERIVATIVES | MERCK PATENT GMBH (DE) | 1991-06-27 | — | — | WO | disclosed |
| JP-S61271279-A | LIQUID CRYSTAL COMPOUND | TEIKOKU CHEM IND CORP LTD | 1986-12-01 | — | — | JP | disclosed |
| JP-S61167671-A | 4-(5-ALKYLPYRIMIDIN-2-YL)BENZOIC ACID-4'-CYANO-3'-HALOGENOPHENYL | CHISSO CORP | 1986-07-29 | — | — | JP | disclosed |
| US-4585575-A | LIQUID CRYSTALS HAVING LARGE VALUE OF OPTICAL ANISOTROPY | CHISSO CORPORATION (JP) | 1986-04-29 | — | — | US | disclosed |
| US-4581155-A | LIQUID CRYSTALS | CHISSO CORPORATION (JP) | 1986-04-08 | — | — | US | disclosed |
| EP-0123907-A2 | Fluoropyrimidine derivatives | Chisso Corporation (JP) | 1984-11-07 | — | — | EP | disclosed |
| EP-0025119-B1 | NEMATIC CRYSTALLINE-LIQUID 5-ALKYL-2-(4-ACYLOXYPHENYL)-PYRIMIDINES FOR OPTO-ELECTRONIC ARRANGEMENTS AND PROCESS FOR THEIR PREPARATION | VEB Werk Für Fernsehelektronik im VEB Kombinat Mikroelektronik (DD) | 1983-05-25 | — | — | EP | disclosed |
| EP-0025119-A1 | Nematic crystalline-liquid 5-alkyl-2-(4-acyloxyphenyl)-pyrimidines for opto-electronic arrangements and process for their preparation | VEB Werk Für Fernsehelektronik im VEB Kombinat Mikroelektronik (DD) | 1981-03-18 | — | — | EP | disclosed |