⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL378762 | 0.69 | — | — | |
| SCHEMBL6823381 | 0.69 | ACHE (0.31) | — | |
| SCHEMBL8055286 | 0.67 | GPR35 (0.34) | — | |
| SCHEMBL9295399 | 0.65 | ALDH1A1 (0.34) | — | |
| SCHEMBL4600069 | 0.65 | ALDH1A1 (0.31) | — | |
| SCHEMBL9936989 | 0.65 | ALDH1A1 (0.30) | — | |
| SCHEMBL4279071 | 0.65 | CASP6 (0.34) | — | |
| SCHEMBL15286495 | 0.65 | POLB (0.32) | — | |
| SCHEMBL15288773 | 0.65 | — | — | |
| SCHEMBL4272720 | 0.61 | VCAM1 (0.33) | — |
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-0804413-A1 | NITROGEN MUSTARD PRODRUGS WITH NOVEL LIPOPHILIC PROTECTING GROUPS, AND PROCESSES FOR THEIR PRODUCTION | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 1997-11-05 | — | — | EP | disclosed |
| WO-1996022277-A1 | NITROGEN MUSTARD PRODRUGS WITH NOVEL LIPOPHILIC PROTECTING GROUPS, AND PROCESSES FOR THEIR PRODUCTION | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 1996-07-25 | — | — | WO | disclosed |