⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3627655 | 0.78 | — | — | |
| SCHEMBL10710111 | 0.72 | — | — | |
| SCHEMBL30609845 | 0.71 | — | — | |
| SCHEMBL1161763 | 0.70 | — | — | |
| SCHEMBL8984014 | 0.68 | — | — | |
| SCHEMBL1101110 | 0.68 | — | — | |
| SCHEMBL28056241 | 0.68 | — | — | |
| Fluoride SCHEMBL28025895 | 0.67 | — | — | |
| SCHEMBL11134126 | 0.65 | — | — | |
| SCHEMBL1722817 | 0.65 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6040477-A | FORMING A SOLUTION OF A MONO-, DI- OR TRICHLOROBENZENE-CARBOXYLIC ACID OR -ALDEHYDE, AN ALKALI OR ALKALINE EARTH METAL SULFITE OR BISULFITE AND WATER; ADDING A BASE TO ADJUST THE PH TO 10-14 AND HEATING; NONCATALYTIC REACTION; PURITY | OCCIDENTAL CHEMICAL CORPORATION (US) | 2000-03-21 | — | — | US | claimed |
| EP-0309839-A1 | Process for the preparation of oxyethyl mercaptobenzaldehydes, and their oxidation products | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-04-05 | — | — | EP | claimed |
| CN-106459296-A | (ethylene, vinyl acetal) copolymers and their use in lithographic printing plate precursors | 爱克发印艺公司 | 2017-02-22 | — | — | CN | disclosed |
| US-6127545-A | CYCLOOXYGENASE-2 (COX-2) INHIBITORS; MADE BY CONDENSING 2-(HALO OR CYANO)-3-HYDROXY-PROPENAL UNDER ACIDIC CONDITIONS IN THE PRESENCE OF AN AMMONIUM REAGENT WITH A 4-(SUBSTITUTED SULFONYL)BENZYLCARBONYL(BENZENE OR PYRIDINE) | MERCK & CO., INC. (US) | 2000-10-03 | — | — | US | disclosed |
| US-6040477-A | FORMING A SOLUTION OF A MONO-, DI- OR TRICHLOROBENZENE-CARBOXYLIC ACID OR -ALDEHYDE, AN ALKALI OR ALKALINE EARTH METAL SULFITE OR BISULFITE AND WATER; ADDING A BASE TO ADJUST THE PH TO 10-14 AND HEATING; NONCATALYTIC REACTION; PURITY | OCCIDENTAL CHEMICAL CORPORATION (US) | 2000-03-21 | — | — | US | disclosed |
| WO-1994022829-A2 | DIHYDROPYRIDINES AND NEW USES THEREOF | SYNAPTIC PHARMACEUTICAL CORPORATION (US) | 1994-10-13 | — | — | WO | disclosed |