⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8797003 | 0.83 | TSHR (0.37) | — | |
| SCHEMBL9435018 | 0.81 | — | — | |
| SCHEMBL8796993 | 0.73 | — | — | |
| SCHEMBL27428032 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL9435000 | 0.66 | MAPT (0.32) | — | |
| SCHEMBL8797852 | 0.65 | NPC1 (0.31) | — | |
| SCHEMBL191345 | 0.61 | ALDH1A1 (0.30) | — | |
| SCHEMBL16150631 | 0.60 | MAPT (0.40) | — | |
| SCHEMBL554571 | 0.59 | — | — | |
| SCHEMBL18862023 | 0.56 | — | — |
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-0769012-A1 | TETRACYCLIC DERIVATIVES AND THEIR USE AS ANTITUMOUR AGENTS | THE WELLCOME FOUNDATION LIMITED (GB) | 1997-04-23 | — | — | EP | disclosed |
| WO-1996001827-A1 | TETRACYCLIC DERIVATIVES AND THEIR USE AS ANTITUMOUR AGENTS | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-01-25 | — | — | WO | disclosed |