⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12336688 | 0.72 | — | — | |
| SCHEMBL15599757 | 0.72 | — | — | |
| SCHEMBL3756517 | 0.65 | — | — | |
| SCHEMBL15523164 | 0.61 | TDP1 (0.44) | — | |
| Tert-Butyl Formate SCHEMBL30378535 | 0.61 | TDP1 (1.00) | — | |
| SCHEMBL95054 | 0.61 | — | — | |
| SCHEMBL95826 | 0.61 | — | — | |
| SCHEMBL2109344 | 0.61 | — | — | |
| Tert-Butyl Formate SCHEMBL1671 | 0.61 | — | — | |
| SCHEMBL5010320 | 0.60 | TDP1 (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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5011938-A | Antimicrobials | ELI LILLY AND COMPANY (US) | 1991-04-30 | — | — | US | disclosed |
| US-4977179-A | Inhibiting angiotensin converting enzyme | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 1990-12-11 | — | — | US | disclosed |
| US-4940718-A | BACTERICIDES | ELI LILLY AND COMPANY (US) | 1990-07-10 | — | — | US | disclosed |
| US-4902707-A | Bicyclic pyrazolidinones, compositions and use | ELI LILLY AND COMPANY (US) | 1990-02-20 | — | — | US | disclosed |
| US-4826992-A | MICROBIOCIDE INTERMEDIATES | ELI LILLY AND COMPANY (US) | 1989-05-02 | — | — | US | disclosed |
| EP-0310214-A2 | 7-Substituted bicyclic pyrazolidinones | ELI LILLY AND COMPANY (US) | 1989-04-05 | — | — | EP | disclosed |
| US-4795815-A | BACTERICIDES, MICROBIOCIDES | ELI LILLY AND COMPANY (US) | 1989-01-03 | — | — | US | disclosed |
| US-4716232-A | 1-(vinyl phosphonate adduct) pyrazolidinones | ELI LILLY AND COMPANY (US) | 1987-12-29 | — | — | US | disclosed |
| EP-0203722-A1 | Bicyclic pyrazolidinones | ELI LILLY AND COMPANY (US) | 1986-12-03 | — | — | EP | disclosed |
| EP-0202794-A1 | 7-Substituted-2,3-(Dihydro) bicyclic pyrazolidinones | ELI LILLY AND COMPANY (US) | 1986-11-26 | — | — | EP | disclosed |
| EP-0202046-A1 | 7-Substituted bicyclic pyrazolidinones | ELI LILLY AND COMPANY (US) | 1986-11-20 | — | — | EP | disclosed |