⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14401279 | 0.86 | CES1 (0.44) | — | |
| SCHEMBL28556942 | 0.84 | CES2 (0.52) | — | |
| SCHEMBL11036679 | 0.82 | CES2 (0.55) | — | |
| SCHEMBL10401053 | 0.82 | CES2 (0.55) | — | |
| SCHEMBL28642047 | 0.80 | — | — | |
| SCHEMBL2991290 | 0.79 | — | — | |
| SCHEMBL15509038 | 0.79 | — | — | |
| SCHEMBL28617281 | 0.78 | CA1 (0.46) | — | |
| SCHEMBL16819058 | 0.78 | CTSK (0.31) | — | |
| SCHEMBL28379727 | 0.76 | CES2 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111233795-A | Preparation method and application of chiral gamma-butyrolactone compound and derivative thereof | 山东省医学科学院药物研究所（山东省抗衰老研究中心、山东省新技术制药研究所） | 2020-06-05 | — | — | CN | disclosed |
| EP-1019413-B1 | METALLATION OF MACROCYCLES WITH 2,4-DICARBONYL-METAL COMPLEXES | PHARMACYCLICS INC (US) | 2003-05-14 | — | — | EP | disclosed |
| EP-1019413-A1 | METALLATION OF MACROCYCLES WITH 2,4-DICARBONYL-METAL COMPLEXES | PHARMACYCLICS, INC. (US) | 2000-07-19 | — | — | EP | disclosed |
| US-5886173-A | REACTING METAL SALT WITH 2,4-DICARBONYL COMPOUND TO FORM COMPLEX, REACTING COMPLEX WITH PORPHYRIN | PHARMACYCLICS, INC. (US) | 1999-03-23 | — | — | US | disclosed |
| WO-1999006411-A1 | METALLATION OF MACROCYCLES WITH 2,4-DICARBONYL-METAL COMPLEXES | PHARMACYCLICS, INC. (US) | 1999-02-11 | — | — | WO | disclosed |
| EP-0462800-A2 | Inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1991-12-27 | — | — | EP | disclosed |