⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20749462 | 0.81 | — | — | |
| SCHEMBL7591242 | 0.72 | ALDH1A1 (0.41) | — | |
| SCHEMBL544944 | 0.72 | — | — | |
| SCHEMBL1016660 | 0.69 | — | — | |
| SCHEMBL18534176 | 0.67 | — | — | |
| SCHEMBL24918595 | 0.67 | — | — | |
| SCHEMBL1016661 | 0.67 | — | — | |
| SCHEMBL15336560 | 0.67 | — | — | |
| SCHEMBL8352486 | 0.67 | ALDH1A1 (0.40) | — | |
| SCHEMBL7591246 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0457250-B1 | Novel bifunctional linking compounds, conjugates and methods for their production | BRISTOL MYERS SQUIBB CO (US) | 1999-07-14 | — | — | EP | claimed |
| EP-0457250-A2 | Novel bifunctional linking compounds, conjugates and methods for their production | BRISTOL-MYERS SQUIBB COMPANY (US) | 1991-11-21 | — | — | EP | claimed |
| WO-2017147410-A1 | COMPOUNDS THAT INHIBIT MCL-1 PROTEIN | AMGEN INC. (US) | 2017-08-31 | — | — | WO | disclosed |
| EP-1777218-A1 | Process for the preparation of 4-phenoxy quinoline derivatives | Eisai R&D Management Co., Ltd. (JP) | 2007-04-25 | — | — | EP | disclosed |