⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6971181 | 0.75 | — | — | |
| SCHEMBL6963759 | 0.73 | — | — | |
| SCHEMBL6963765 | 0.73 | — | — | |
| SCHEMBL6967313 | 0.69 | — | — | |
| SCHEMBL29086003 | 0.67 | — | — | |
| SCHEMBL9849006 | 0.67 | — | — | |
| SCHEMBL6963670 | 0.65 | — | — | |
| SCHEMBL2447843 | 0.65 | — | — | |
| SCHEMBL9024582 | 0.65 | — | — | |
| SCHEMBL487015 | 0.63 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |
| CN-1124737-A | Method for production of t-butyl 3-oxobutyrates and their use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1996-06-19 | — | — | CN | disclosed |
| US-5183929-A | Method for production of T-butyl 3-oxobutyrates and their use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-02-02 | — | — | US | disclosed |
| US-5109131-A | METHOD FOR PRODUCTION OF T-BUTYL 3-OXOBUTYRATES AND THEIR USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-04-28 | — | — | US | disclosed |
| CN-1035283-A | Process for producing tert-butyl 3-oxobutyrate and use thereof | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1989-09-06 | — | — | CN | disclosed |
| US-4680390-A | CEPHALOSPORINS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1987-07-14 | — | — | US | disclosed |
| US-4520194-A | BACTERICIDES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1985-05-28 | — | — | US | disclosed |
| US-4510138-A | 7-[2-(2-Aminothiazol-4-yl)-2-(syn)-methoxyiminoacetamido]cephalosporin derivatives | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1985-04-09 | — | — | US | disclosed |
| US-4278671-A | ANTIBIOTICS, BACTERICIDES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1981-07-14 | — | — | US | disclosed |