⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11021949 | 0.68 | — | — | |
| SCHEMBL9523230 | 0.64 | — | — | |
| SCHEMBL10650634 | 0.61 | — | — | |
| SCHEMBL29178045 | 0.61 | — | — | |
| Trichlormethine SCHEMBL8224 | 0.54 | LMNA (0.91) | — | |
| SCHEMBL9523235 | 0.54 | — | — | |
| SCHEMBL9295642 | 0.52 | — | — | |
| SCHEMBL10501834 | 0.52 | — | — | |
| Trichlormethine SCHEMBL1820371 | 0.51 | LMNA (0.83) | — | |
| Trichlormethine SCHEMBL338967 | 0.51 | LMNA (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0062329-B1 | NOVEL NITROSOUREA DERIVATIVE, PROCESS FOR PREPARING SAME AND THERAPEUTIC COMPOSITION CONTAINING SAID DERIVATE | Tanabe Seiyaku Co., Ltd. (JP) | 1985-02-20 | — | — | EP | disclosed |