⚠ 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 | |
|---|---|---|---|---|
| Dimethyl Succinate SCHEMBL10213 | 0.85 | TSHR (1.00) | — | |
| Dimethyl Succinate SCHEMBL28054469 | 0.85 | TSHR (1.00) | — | |
| SCHEMBL8688219 | 0.84 | TSHR (0.67) | — | |
| SCHEMBL35211338 | 0.82 | TSHR (0.64) | — | |
| Dimethyl Succinate SCHEMBL29248752 | 0.82 | TSHR (0.93) | — | |
| Dimethyl Succinate SCHEMBL29824778 | 0.82 | TSHR (0.93) | — | |
| Dimethyl Succinate SCHEMBL16798755 | 0.82 | TSHR (0.93) | — | |
| Dimethyl Succinate SCHEMBL28294757 | 0.82 | TSHR (0.93) | — | |
| Dimethyl Succinate SCHEMBL7778900 | 0.82 | TSHR (0.93) | — | |
| Dimethyl Succinate SCHEMBL31389405 | 0.82 | TSHR (0.93) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105924470-B | A kind of bisphosphonate compound and the preparation method and application thereof | 成都云克药业有限责任公司 | 2019-01-29 | — | — | CN | disclosed |
| EP-0303280-B1 | PHENOLIC ANTIOXIDANT HYDRAZIDES | ATOCHEM NORTH AMERICA, INC. (US) | 1993-03-24 | — | — | EP | disclosed |
| US-5177072-A | Treatment of autoimmune inflammatory, and psoriatic diseases with heterocyclic aminoalkyl esters of mycophenolic acid and derivatives | SYNTEX (U.S.A.) INC. (US) | 1993-01-05 | — | — | US | disclosed |
| US-4861776-A | Heterocyclic aminoalkyl esters of mycophenolic acid and derivatives thereof, compositions and use | SYNTEX (U.S.A) INC. (US) | 1989-08-29 | — | — | US | disclosed |
| EP-0303280-A2 | Phenolic antioxidant hydrazides | ATOCHEM NORTH AMERICA, INC. (US) | 1989-02-15 | — | — | EP | disclosed |
| US-4801749-A | Phenolic antioxidant hydrazides | PENNWALT CORPORATION (US) | 1989-01-31 | — | — | US | disclosed |
| US-4748173-A | IMMUNOSUPRESSIVE, ANTIINFLAMMATORY, ANTITUMOR, ANTIVIRAL, AND ANTIPSORIASIS AGENTS | SYNTEX (U.S.A.) INC. (US) | 1988-05-31 | — | — | US | disclosed |
| US-4727069-A | ANTIBODY INHIBITORS, ANTIINFLAMMATORY, ANTITUMOR AGENTS, VIRICIDES, AND ANTIPSORIATIC AGENTS | SYNTEX (U.S.A.) INC. (US) | 1988-02-23 | — | — | US | disclosed |