⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8626112 | 0.71 | MAOB (0.49) | — | |
| SCHEMBL8627382 | 0.67 | NPSR1 (0.38) | — | |
| SCHEMBL2294837 | 0.64 | — | — | |
| SCHEMBL13046891 | 0.62 | — | — | |
| SCHEMBL8920789 | 0.62 | — | — | |
| SCHEMBL8627227 | 0.62 | LMNA (0.40) | — | |
| SCHEMBL4996345 | 0.61 | — | — | |
| SCHEMBL13165565 | 0.61 | POLB (0.50) | — | |
| SCHEMBL4418275 | 0.61 | GLS (0.58) | — | |
| SCHEMBL16182104 | 0.60 | L3MBTL1 (0.41) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE35754-E | FOR TREATING BACTERIAL INFECTIONS | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-03-24 | — | — | US | disclosed |
| US-5710146-A | ANTIBIOTICS FOR BACTERICIDES | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-01-20 | — | — | US | 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 |
| US-5089490-A | Cephem derivatives | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-02-18 | — | — | US | disclosed |
| EP-0324418-A2 | Method for production of t-butyl- 3-oxobutyrates and their use | Takeda Chemical Industries, Ltd. (JP) | 1989-07-19 | — | — | EP | disclosed |
| US-4758556-A | Cephem derivatives | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-07-19 | — | — | US | disclosed |
| US-4399131-A | Cephem derivatives | HOECHST AG (DE) | 1983-08-16 | — | — | US | disclosed |
| US-4278793-A | ANTIBIOTICS, BACTERICIDES | HOECHST AKTIENGESELLSCHAFT (DE) | 1981-07-14 | — | — | US | disclosed |
| US-4197298-A | [3-Heterocyclic-7-(2-methoxyimino-2-aminothiazolyl) acetamido]cephalosporins | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1980-04-08 | — | — | US | disclosed |