⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8901716 | 0.76 | MIF (0.35) | — | |
| SCHEMBL8531831 | 0.74 | NLRP3 (0.31) | — | |
| SCHEMBL8900992 | 0.73 | — | — | |
| SCHEMBL8901669 | 0.73 | ADRA1A (0.36) | — | |
| SCHEMBL14501460 | 0.66 | DNTT (0.31) | — | |
| SCHEMBL8900984 | 0.59 | — | — | |
| SCHEMBL9520793 | 0.57 | — | — | |
| SCHEMBL9523701 | 0.57 | — | — | |
| SCHEMBL9755769 | 0.56 | — | — | |
| SCHEMBL28582483 | 0.55 | NFKB1 (0.37) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0533744-A1 | HETEROCYCLIC ANTHRACYCLIONE AND ANTHRACYCLINE ANALOGS | BIOCHEM PHARMA INC. (CA) | 1993-03-31 | — | — | EP | claimed |
| WO-1991019725-A2 | HETEROCYCLIC ANTHRACYCLIONE AND ANTHRACYCLINE ANALOGS | BIOCHEM PHARMA INC. (CA) | 1991-12-26 | — | — | WO | claimed |
| US-5593970-A | ANTITUMOR AND ANTCARCINOGENIC AGENTS; TRETMENT OF CANCEROUS BONE MARROW BEFORE REGRAFTING | BIOCHEM PHARMA INC. (CA) | 1997-01-14 | — | — | US | disclosed |