⚠ 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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL18038076 | 0.91 | TSHR (0.50) | — | |
| SCHEMBL352540 | 0.82 | — | — | |
| SCHEMBL3876163 | 0.82 | — | — | |
| SCHEMBL11880449 | 0.82 | — | — | |
| Pyridine SCHEMBL2549030 | 0.80 | — | — | |
| Pyridine SCHEMBL1410940 | 0.80 | TSHR (0.60) | — | |
| Pyrimidine SCHEMBL10509081 | 0.80 | — | — | |
| Pyrimidine SCHEMBL27710923 | 0.79 | — | — | |
| Pyrimidine SCHEMBL19437633 | 0.78 | TSHR (0.50) | — | |
| Pyrimidine SCHEMBL10646 | 0.78 | TSHR (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116987269-B | Hydrophilic reservoir pore inner water film regulator, preparation method and application | 西南石油大学 | 2024-02-27 | — | — | CN | claimed |
| CN-116987269-A | Hydrophilic reservoir pore inner water film regulator, preparation method and application | 西南石油大学 | 2023-11-03 | — | — | CN | claimed |
| EP-0432442-A1 | ACAT inhibitors | WARNER-LAMBERT COMPANY (US) | 1991-06-19 | — | — | EP | claimed |
| CN-1051553-A | ACAT INHIBITORS | WARNER LAMBERT CO (US) | 1991-05-22 | — | — | CN | claimed |
| CN-117050072-B | Pyrazolopyridine derivative and application thereof | 沈阳药科大学 | 2024-05-17 | — | — | CN | disclosed |
| CN-116987269-B | Hydrophilic reservoir pore inner water film regulator, preparation method and application | 西南石油大学 | 2024-02-27 | — | — | CN | disclosed |
| CN-116987269-B | Hydrophilic reservoir pore inner water film regulator, preparation method and application | 西南石油大学 | 2024-02-27 | — | — | CN | disclosed |
| CN-116987269-A | Hydrophilic reservoir pore inner water film regulator, preparation method and application | 西南石油大学 | 2023-11-03 | — | — | CN | disclosed |
| CN-116987269-A | Hydrophilic reservoir pore inner water film regulator, preparation method and application | 西南石油大学 | 2023-11-03 | — | — | CN | disclosed |
| CN-114933587-A | Preparation method of trifloxysulfuron sodium salt | 江苏省农用激素工程技术研究中心有限公司 | 2022-08-23 | — | — | CN | disclosed |
| CN-113105366-B | Phenyl-containing hydroximic structure derivatives, and preparation method and application thereof | 中国药科大学 | 2022-05-24 | — | — | CN | disclosed |
| CN-113105366-A | Phenyl-containing hydroximic structure derivatives, and preparation method and application thereof | 中国药科大学 | 2021-07-13 | — | — | CN | disclosed |
| CN-104185469-A | Cosmetic treatment processes and kit | OREAL | 2014-12-03 | — | — | CN | disclosed |
| EP-0432442-A1 | ACAT inhibitors | WARNER-LAMBERT COMPANY (US) | 1991-06-19 | — | — | EP | disclosed |
| CN-1051553-A | ACAT INHIBITORS | WARNER LAMBERT CO (US) | 1991-05-22 | — | — | CN | disclosed |