⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18669414 | 0.83 | LCK (0.57) | — | |
| SCHEMBL28811487 | 0.83 | LCK (0.57) | — | |
| SCHEMBL7823207 | 0.83 | LCK (0.57) | — | |
| SCHEMBL18843225 | 0.76 | — | — | |
| SCHEMBL2776377 | 0.76 | ALDH1A1 (0.61) | — | |
| SCHEMBL5965619 | 0.76 | ALDH1A1 (0.61) | — | |
| SCHEMBL28850932 | 0.73 | — | — | |
| SCHEMBL2550385 | 0.71 | — | — | |
| SCHEMBL869479 | 0.71 | — | — | |
| SCHEMBL2549304 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180215721-A1 | TEAD TRANSCRIPTION FACTOR AUTOPALMITOYLATION INHIBITORS | THE GENERAL HOSPITAL CORPORATION | 2018-08-02 | — | — | US | disclosed |
| CN-103664605-A | Preparation method of brominated eneyne compound E-18-bromo-5,7,15-trialkynyl-17-ene stearate | SHANGHAI INST MATERIA MEDICA | 2014-03-26 | — | — | CN | disclosed |