⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL36897 | 0.81 | ALDH1A1 (0.45) | — | |
| SCHEMBL6628096 | 0.80 | — | — | |
| SCHEMBL11574505 | 0.78 | ALDH1A1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL7231265 | 0.78 | ALDH1A1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL11203129 | 0.78 | ALDH1A1 (0.43) | — | |
| SCHEMBL7072472 | 0.78 | — | — | |
| Butane SCHEMBL3012832 | 0.75 | LDHA (0.37) | — | |
| SCHEMBL16289486 | 0.75 | ALDH1A1 (0.41) | — | |
| Ethylene Glycol SCHEMBL25435561 | 0.72 | LDHA (0.38) | — | |
| SCHEMBL351954 | 0.72 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008031888-A2 | CONDENSED PYRIMIDINONES ACTIVE ON GLUTAMATERGIC RECEPTORS | CAMPIANI GIUSEPPE (IT) | 2008-03-20 | — | — | WO | claimed |
| US-20220348590-A1 | CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF | THE BOARD INSTITUTE, INC. (US) | 2022-11-03 | — | — | US | disclosed |
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| EP-4027993-A1 | CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF | The Broad Institute Inc. (US) | 2022-07-20 | — | — | EP | disclosed |
| US-20210289794-A1 | COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE | FLAGSHIP PIONEERING INNOVATIONS V, INC. | 2021-09-23 | — | — | US | disclosed |
| CN-112210070-B | Self-repairing epoxy resin curing agent and preparation method and application thereof | 清华大学 | 2021-09-07 | — | — | CN | disclosed |
| WO-2021050700-A1 | CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF | THE BROAD INSTITUTE, INC. (US) | 2021-03-18 | — | — | WO | disclosed |
| CN-112210070-A | Novel self-repairing epoxy resin curing agent and preparation method and application thereof | 清华大学 | 2021-01-12 | — | — | CN | disclosed |
| CN-104755556-B | Electroconductive polymer/polyanionic complexes organic solvent dispersion, the conductive composition containing the organic solvent dispersion and the conductive film covering as made from the conductive composition | 荒川化学工业株式会社 | 2018-12-14 | — | — | CN | disclosed |
| CN-104755556-A | Organic solvent dispersoid for conductive polymer/polyanion complex, conductive composition containing said dispersoid, and conductive film obtained from said composition | ARAKAWA CHEM IND | 2015-07-01 | — | — | CN | disclosed |
| WO-2008031888-A2 | CONDENSED PYRIMIDINONES ACTIVE ON GLUTAMATERGIC RECEPTORS | CAMPIANI GIUSEPPE (IT) | 2008-03-20 | — | — | WO | disclosed |
| US-4985485-A | HYDROTALCITE | RHONE-POULENC CHIMIE (FR) | 1991-01-15 | — | — | US | disclosed |
| US-4921896-A | RED PHOSPHORUS, LANTHANIDE, TALC, ZINC SULFIDE OR ZINC OXIDE | RHONE-POULENC CHIMIE (FR) | 1990-05-01 | — | — | US | disclosed |
| US-4612339-A | YTTRIUM OR LANTHANDIDE COMPOUND; AMMONIUM, ALKALI OR ALKALINE EARTH METAL HALIDE | RHONE-POULENC SPECIALITES CHIMIQUES (FR) | 1986-09-16 | — | — | US | disclosed |
| US-4559372-A | ADDITIVES OF RED PHOSPHORUS AND A LANTHANIDE AND/OR YTTRIUM COMPOUND; NONTOXIC;ARC TRACKING RESISTANCE | RHONE-POULENC SPECIALITIES CHIMIQUES (FR) | 1985-12-17 | — | — | US | disclosed |