⚠ 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 | |
|---|---|---|---|---|
| Methylamine SCHEMBL27401817 | 0.96 | — | — | |
| SCHEMBL9288907 | 0.78 | CYP24A1 (0.31) | — | |
| SCHEMBL550601 | 0.75 | IDO1 (0.39) | — | |
| SCHEMBL4488526 | 0.67 | — | — | |
| SCHEMBL22130438 | 0.67 | ABCG2 (0.33) | — | |
| SCHEMBL4502736 | 0.66 | — | — | |
| SCHEMBL17583241 | 0.66 | KDM4C (0.32) | — | |
| SCHEMBL21712109 | 0.65 | — | — | |
| SCHEMBL6731218 | 0.64 | MEN1 (0.46) | — | |
| SCHEMBL8699425 | 0.64 | ABCG2 (0.40) | — |
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-6013807-A | Antitumor tetracyclic compounds | UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) | 2000-01-11 | — | — | US | disclosed |
| EP-0741729-A1 | ANTITUMOUR TETRACYCLIC COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-11-13 | — | — | EP | disclosed |
| WO-1995021170-A1 | ANTITUMOUR TETRACYCLIC COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-08-10 | — | — | WO | disclosed |
| EP-0651750-A1 | TETRACYCLIC COMPOUNDS PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOUR AGENTS | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-05-10 | — | — | EP | disclosed |
| CN-1088209-A | Heterogeneous ring compound | WELLCOME FOUND (GB) | 1994-06-22 | — | — | CN | disclosed |
| WO-1994002483-A1 | TETRACYCLIC COMPOUNDS PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOUR AGENTS | THE WELLCOME FOUNDATION LIMITED (GB) | 1994-02-03 | — | — | WO | disclosed |