⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11652707 | 0.77 | MMP1 (0.42) | — | |
| SCHEMBL11652704 | 0.77 | MMP1 (0.42) | — | |
| SCHEMBL18329317 | 0.74 | — | — | |
| SCHEMBL43907 | 0.74 | — | — | |
| SCHEMBL5263714 | 0.74 | — | — | |
| SCHEMBL15040092 | 0.72 | — | — | |
| SCHEMBL104169 | 0.72 | — | — | |
| SCHEMBL14613166 | 0.72 | — | — | |
| SCHEMBL8901787 | 0.70 | — | — | |
| SCHEMBL28473720 | 0.70 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5593970-A | ANTITUMOR AND ANTCARCINOGENIC AGENTS; TRETMENT OF CANCEROUS BONE MARROW BEFORE REGRAFTING | BIOCHEM PHARMA INC. (CA) | 1997-01-14 | — | — | US | claimed |
| EP-0659190-A1 | ANTINEOPLASTIC HETERONAPHTHOQUINONES | BIOCHEM PHARMA INC (CA) | 1995-06-28 | — | — | EP | claimed |
| WO-1995012588-A1 | ANTINEOPLASTIC HETERONAPHTHOQUINONES | BIOCHEM PHARMA INC. (CA) | 1995-05-11 | — | — | WO | claimed |
| WO-1994011382-A1 | ANTINEOPLASTIC HETERONAPHTHOQUINONES | BIOCHEM PHARMA INC. (CA) | 1994-05-26 | — | — | WO | claimed |
| JP-58222093-A | — | — | None | — | — | JP | disclosed |
| US-5593970-A | ANTITUMOR AND ANTCARCINOGENIC AGENTS; TRETMENT OF CANCEROUS BONE MARROW BEFORE REGRAFTING | BIOCHEM PHARMA INC. (CA) | 1997-01-14 | — | — | US | disclosed |
| EP-0659190-A1 | ANTINEOPLASTIC HETERONAPHTHOQUINONES | BIOCHEM PHARMA INC (CA) | 1995-06-28 | — | — | EP | disclosed |
| WO-1995012588-A1 | ANTINEOPLASTIC HETERONAPHTHOQUINONES | BIOCHEM PHARMA INC. (CA) | 1995-05-11 | — | — | WO | disclosed |
| WO-1994011382-A1 | ANTINEOPLASTIC HETERONAPHTHOQUINONES | BIOCHEM PHARMA INC. (CA) | 1994-05-26 | — | — | WO | disclosed |
| JP-S58222093-A | HALOALKYLUREIDO GROUP-SUBSTITUTED TRIALKOXYSILANE AND ITS PREPARATION | TOKUYAMA SODA CO LTD | 1983-12-23 | — | — | JP | disclosed |