⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1261724 | 0.67 | — | — | |
| SCHEMBL10424357 | 0.67 | — | — | |
| SCHEMBL3610599 | 0.67 | — | — | |
| SCHEMBL12831357 | 0.67 | — | — | |
| SCHEMBL6438732 | 0.67 | — | — | |
| SCHEMBL18583473 | 0.64 | — | — | |
| SCHEMBL1289792 | 0.64 | — | — | |
| SCHEMBL22296886 | 0.64 | — | — | |
| SCHEMBL8630102 | 0.64 | — | — | |
| SCHEMBL5451392 | 0.64 | — | — |
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-5717099-A | Method of synthesis for 6,9-bis((2-aminoethyl)amino)benzo g!isoquinoline-5,10-dione and its dimaleate salt | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1998-02-10 | — | — | US | disclosed |