⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30148759 | 0.79 | ALDH1A1 (0.46) | — | |
| SCHEMBL3841098 | 0.79 | ALDH1A1 (0.46) | — | |
| SCHEMBL3845360 | 0.77 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL21952899 | 0.77 | — | — | |
| SCHEMBL29349442 | 0.75 | — | — | |
| SCHEMBL3839098 | 0.75 | ALDH1A1 (0.54) | — | |
| SCHEMBL3839195 | 0.75 | ALDH1A1 (0.54) | — | |
| SCHEMBL133589 | 0.75 | — | — | |
| SCHEMBL6681964 | 0.75 | — | — | |
| SCHEMBL3158232 | 0.75 | APP (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |
| US-4165315-A | CHLORINATION WITH AN N-CHLORO HALOGENATING AGENT | ELI LILLY AND COMPANY (US) | 1979-08-21 | — | — | US | disclosed |
| US-4165316-A | Process for preparing sulfinyl chlorides from penicillin sulfoxides | ELI LILLY AND COMPANY (US) | 1979-08-21 | — | — | US | disclosed |
| US-4115383-A | Alkoxycarbonyl-ethylthio-azetidinones and process for their preparation | ELI LILLY AND COMPANY (US) | 1978-09-19 | — | — | US | disclosed |
| US-4081440-A | Sulfinyl halides and their preparation from penicillin sulfoxides | ELI LILLY AND COMPANY (US) | 1978-03-28 | — | — | US | disclosed |
| US-4075203-A | Process for preparing a 3-exomethylenecepham sulfoxide from penicillin sulfoxides | ELI LILLY AND COMPANY (US) | 1978-02-21 | — | — | US | disclosed |
| US-4048162-A | Process for preparing 3-hydroxy cephalosporins | ELI LILLY AND COMPANY (US) | 1977-09-13 | — | — | US | disclosed |
| US-4031082-A | Process for preparing 3-acycloxymethyl-2-cephem compounds | ELI LILLY AND COMPANY (US) | 1977-06-21 | — | — | US | disclosed |
| US-4029651-A | ESTERIFICATION | ELI LILLY AND COMPANY (US) | 1977-06-14 | — | — | US | disclosed |
| US-4008231-A | Preparation of 3-methoxymethylcephalosporins | ELI LILLY AND COMPANY (US) | 1977-02-15 | — | — | US | disclosed |
| US-4008230-A | Process for preparing 3-hydroxy cephalosporins | ELI LILLY AND COMPANY (US) | 1977-02-15 | — | — | US | disclosed |