⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL318757 | 1.00 | — | — | |
| SCHEMBL16190279 | 1.00 | — | — | |
| SCHEMBL9611931 | 0.88 | CYP3A4 (0.41) | — | |
| SCHEMBL14275832 | 0.88 | CYP3A4 (0.41) | — | |
| SCHEMBL1527371 | 0.86 | CYP3A4 (0.39) | — | |
| SCHEMBL1527372 | 0.86 | CYP3A4 (0.39) | — | |
| Hydrochloric Acid SCHEMBL15123892 | 0.86 | CYP3A4 (0.39) | — | |
| Hydrochloric Acid SCHEMBL320458 | 0.86 | CYP3A4 (0.39) | — | |
| SCHEMBL4704959 | 0.86 | CYP3A4 (0.39) | — | |
| SCHEMBL7804695 | 0.84 | L3MBTL1 (0.39) | — |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5384406-A | Hydrolysis resistant; agriculture chemical anions | ISP INVESTMENTS INC. (US) | 1995-01-24 | — | — | US | claimed |
| WO-1992021656-A1 | WATER-SOLUBLE BIOLOGICALLY ACTIVE AMMONIUM SALTS | ISP INVESTMENTS INC. (US) | 1992-12-10 | — | — | WO | claimed |
| US-11873304-B2 | Fused pyrimidine derivatives as A2A/A2B inhibitors | INCYTE CORPORATION (US) | 2024-01-16 | — | — | US | disclosed |
| WO-2023230540-A2 | INDAZOLE DERIVATIVES FOR TREATING TRPM3-MEDIATED DISORDERS | KATHOLIEKE UNIVERSITEIT LEUVEN (BE) | 2023-11-30 | — | — | WO | disclosed |
| US-11168089-B2 | Fused pyrimidine derivatives as A2A / A2B inhibitors | INCYTE CORPORATION (US) | 2021-11-09 | — | — | US | disclosed |
| EP-3810610-A1 | FUSED PYRIMIDINE DERIVATIVES AS A2A / A2B INHIBITORS | Incyte Corporation (US) | 2021-04-28 | — | — | EP | disclosed |
| US-20180110766-A1 | SELECTIVE NR2B ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2018-04-26 | — | — | US | disclosed |
| US-20180104265-A1 | (R)-3-((3S,4S)-3-FLUORO-4-(4-HYDROXYPHENYL)PIPERIDIN-1-YL)-1-(4-METHYLBENZYL)PYRROLIDIN-2-ONE AND ITS PRODRUGS FOR THE TREATMENT OF PSYCHIATRIC DISORDERS | BRISTOL MYERS SQUIBB CO (US) | 2018-04-19 | — | — | US | disclosed |
| US-20180000807-A1 | SELECTIVE NR2B ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2018-01-04 | — | — | US | disclosed |
| US-20170340653-A1 | (R)-3-((3S,4S)-3-FLUORO-4-(4-HYDROXYPHENYL)PIPERIDIN-1-YL)-1-(4-METHYLBENZYL)PYRROLIDIN-2-ONE AND ITS PRODRUGS FOR THE TREATMENT OF PSYCHIATRIC DISORDERS | BRISTOL MYERS SQUIBB CO (US) | 2017-11-30 | — | — | US | disclosed |
| US-20170258777-A1 | Selective NR2B Antagonists | BRISTOL MYERS SQUIBB CO (US) | 2017-09-14 | — | — | US | disclosed |
| US-7332509-B2 | Heterocyclic amides, a process for their preparation, compositions comprising them and their use | MERIAL LIMITED (US) | 2008-02-19 | — | — | US | disclosed |
| US-7332509-B2 | Heterocyclic amides, a process for their preparation, compositions comprising them and their use | MERIAL LIMITED (US) | 2008-02-19 | — | — | US | disclosed |
| EP-1434485-B1 | NICOTINIC ACID-HETEROCYCLYL-AMIDES AND ANALOGOUS PYRIMIDINE DERIVATIVES FOR USE AS PESTICIDES | MERIAL LTD (US) | 2007-05-16 | — | — | EP | disclosed |
| US-5384406-A | Hydrolysis resistant; agriculture chemical anions | ISP INVESTMENTS INC. (US) | 1995-01-24 | — | — | US | disclosed |
| US-5334331-A | A stripping solution mixture comprising gamma-butyrolactone, a cyclomethicone; nontoxic, biodegradable, water solubility, corrosion resistance | ISP INVESTMENTS INC. (US) | 1994-08-02 | — | — | US | disclosed |
| WO-1994015727-A1 | METHOD OF ACTIVATING N-METHYL-2-PYRROLIDONE (NMP) VARNISH AND PAINT REMOVER SOLVENTS FOR REMOVAL OF ORGANIC COATINGS | ISP INVESTMENTS INC. (US) | 1994-07-21 | — | — | WO | disclosed |
| WO-1993018865-A1 | AQUEOUS STRIPPING COMPOSITION CONTAINING A PEROXIDE AND BUTYROLACTONE, ETHYLENE CARBONATE OR A WATER SOLUBLE ESTER | ISP INVESTMENTS INC. (US) | 1993-09-30 | — | — | WO | disclosed |
| US-5221791-A | Hydrolysis resistant | ISP INVESTMENTS INC. (US) | 1993-06-22 | — | — | US | disclosed |
| US-5215675-A | Aqueous stripping composition containing peroxide and water soluble ester | ISP INVESTMENTS INC. (US) | 1993-06-01 | — | — | US | disclosed |