⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16722800 | 0.79 | — | — | |
| SCHEMBL7940467 | 0.78 | — | — | |
| SCHEMBL10403168 | 0.77 | — | — | |
| SCHEMBL3865966 | 0.77 | — | — | |
| SCHEMBL25308536 | 0.76 | — | — | |
| SCHEMBL673236 | 0.74 | — | — | |
| SCHEMBL11052008 | 0.74 | — | — | |
| SCHEMBL8467419 | 0.74 | — | — | |
| SCHEMBL18827449 | 0.74 | — | — | |
| SCHEMBL3864690 | 0.72 | TDP1 (0.50) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4952690-A | 6-substituted thia-aza compounds | CIBA-GEIGY CORPORATION (US) | 1990-08-28 | — | — | US | disclosed |
| US-4692442-A | ANTIBIOTICS | CIBA-GEIGY CORPORATION (US) | 1987-09-08 | — | — | US | disclosed |
| EP-0042026-B1 | 3,4-DISUBSTITUTED AZETIDIN-2-ON COMPOUNDS AND PROCESS FOR THEIR PREPARATION | CIBA-GEIGY AG (CH) | 1986-01-08 | — | — | EP | disclosed |
| EP-0003960-B1 | 6-SUBSTITUTED THIA-AZA-COMPOUNDS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | CIBA-GEIGY AG (CH) | 1983-06-29 | — | — | EP | disclosed |
| EP-0042026-A1 | 3,4-Disubstituted azetidin-2-on compounds and process for their preparation | CIBA-GEIGY AG (CH) | 1981-12-23 | — | — | EP | disclosed |
| EP-0003960-A1 | 6-Substituted thia-aza-compounds, their preparation and pharmaceutical compositions containing them | CIBA-GEIGY AG (CH) | 1979-09-19 | — | — | EP | disclosed |