⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6533317 | 0.92 | — | — | |
| SCHEMBL11427894 | 0.90 | HTT (0.46) | — | |
| SCHEMBL7940754 | 0.90 | HTT (0.46) | — | |
| SCHEMBL2287855 | 0.90 | HTT (0.46) | — | |
| SCHEMBL2043658 | 0.83 | — | — | |
| Acetonitrile SCHEMBL17627828 | 0.78 | TSHR (0.55) | — | |
| SCHEMBL8728506 | 0.78 | TSHR (0.48) | — | |
| SCHEMBL20658174 | 0.78 | TSHR (0.48) | — | |
| SCHEMBL28154997 | 0.77 | — | — | |
| SCHEMBL1246944 | 0.77 | — | — |
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-102911142-B | Method for preparing 5-hydroxymethylfurfural | UNIV FUDAN | 2015-04-22 | — | — | CN | claimed |
| CN-102911142-A | Method for preparing 5-hydroxymethylfurfural | UNIV FUDAN | 2013-02-06 | — | — | CN | claimed |
| US-5166423-A | Catalysis with piperidine nitroxide free radical, nitric acid and oxidant; by-product inhibition | SHELL OIL COMPANY (US) | 1992-11-24 | — | — | US | claimed |
| CN-117209396-A | Adipoyl-2, 2' -dimethylhydrazine and preparation method thereof | 西安航洁化工科技有限责任公司 | 2023-12-12 | — | — | CN | disclosed |
| CN-113075320-B | Detection method and consistency evaluation method for azithromycin particle impurities | 海南海力制药有限公司 | 2023-02-03 | — | — | CN | disclosed |
| CN-113075320-B | Detection method and consistency evaluation method for azithromycin particle impurities | 海南海力制药有限公司 | 2023-02-03 | — | — | CN | disclosed |
| CN-113075320-A | Detection method and consistency evaluation method for azithromycin particle impurities | 海南海力制药有限公司 | 2021-07-06 | — | — | CN | disclosed |
| CN-113075320-A | Detection method and consistency evaluation method for azithromycin particle impurities | 海南海力制药有限公司 | 2021-07-06 | — | — | CN | disclosed |
| EP-2758058-B1 | SUBSTITUTED PYRIMIDINES | MERCK SHARP & DOHME (US) | 2017-04-26 | — | — | EP | disclosed |
| US-9034851-B2 | Substituted pyrimidines | MERCK SHARP & DOHME CORP. (US) | 2015-05-19 | — | — | US | disclosed |
| CN-102911142-B | Method for preparing 5-hydroxymethylfurfural | UNIV FUDAN | 2015-04-22 | — | — | CN | disclosed |
| US-20140235583-A1 | SUBSTITUTED PYRIMIDINES | MERCK SHARP & DOHME LLC | 2014-08-21 | — | — | US | disclosed |
| WO-2013043621-A1 | SUBSTITUTED PYRIMIDINES | MERCK SHARP & DOHME CORP. (US) | 2013-03-28 | — | — | WO | disclosed |
| CN-102911142-A | Method for preparing 5-hydroxymethylfurfural | UNIV FUDAN | 2013-02-06 | — | — | CN | disclosed |
| EP-0100764-B1 | PROCESS FOR REMOVAL OF CARBON OXIDES FROM GAS MIXTURES | MONSANTO COMPANY (US) | 1986-06-04 | — | — | EP | disclosed |
| EP-0100764-A1 | Process for removal of carbon oxides from gas mixtures | MONSANTO COMPANY (US) | 1984-02-15 | — | — | EP | disclosed |
| US-4370278-A | Nucleophilic substitution process | ETHYL CORPORATION (US) | 1983-01-25 | — | — | US | disclosed |