⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8112777 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL2443918 | 0.54 | — | — | |
| SCHEMBL7709747 | 0.47 | — | — | |
| Pyrrole SCHEMBL15801170 | 0.44 | — | — | |
| Pyrrole SCHEMBL27535135 | 0.44 | — | — | |
| Pyrrole SCHEMBL14840876 | 0.44 | — | — | |
| Pyrrole SCHEMBL22577717 | 0.43 | — | — | |
| Pyrrole SCHEMBL23327323 | 0.42 | — | — | |
| Pyrrole SCHEMBL11516577 | 0.42 | — | — | |
| Pyrrole SCHEMBL8900481 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5308843-A | Method of inhibiting mammalian topoisomerase II and malignant cell growth in mammals, with substituted (S)-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4 ]-benzoxazine(and-benzothiazine)-6-carboxylic acids | STERLING DRUG INC. (US) | 1994-05-03 | — | — | US | disclosed |