⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL538161 | 0.76 | — | — | |
| SCHEMBL487298 | 0.76 | — | — | |
| Water SCHEMBL2064861 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL9020972 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL538160 | 0.72 | — | — | |
| SCHEMBL7113440 | 0.71 | — | — | |
| SCHEMBL23686095 | 0.69 | — | — | |
| SCHEMBL10716303 | 0.69 | — | — | |
| SCHEMBL20078798 | 0.69 | — | — | |
| SCHEMBL2720618 | 0.69 | — | — |
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 6 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 |
| WO-1995012588-A1 | ANTINEOPLASTIC HETERONAPHTHOQUINONES | BIOCHEM PHARMA INC. (CA) | 1995-05-11 | — | — | 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 |
| 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 |