⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1370022 | 0.69 | — | — | |
| SCHEMBL22845128 | 0.64 | — | — | |
| Trichlormethine SCHEMBL8224 | 0.64 | LMNA (0.91) | — | |
| SCHEMBL7592661 | 0.62 | — | — | |
| SCHEMBL5385190 | 0.61 | — | — | |
| Trichlormethine SCHEMBL338967 | 0.61 | LMNA (1.00) | — | |
| Trichlormethine SCHEMBL1820371 | 0.61 | LMNA (0.83) | — | |
| Trichlormethine SCHEMBL1651598 | 0.58 | LMNA (0.77) | — | |
| Mechlorethamine SCHEMBL3861 | 0.58 | — | — | |
| SCHEMBL131951 | 0.58 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0266549-B1 | CINNAMYL AMINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1991-06-19 | — | — | EP | disclosed |
| EP-0266549-A1 | Cinnamyl amines, process for their preparation and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1988-05-11 | — | — | EP | disclosed |