⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13533879 | 1.00 | — | — | |
| SCHEMBL13533754 | 1.00 | — | — | |
| SCHEMBL1871672 | 0.86 | ALDH1A1 (0.49) | — | |
| SCHEMBL13654356 | 0.86 | ALDH1A1 (0.49) | — | |
| SCHEMBL20284513 | 0.86 | ALDH1A1 (0.49) | — | |
| SCHEMBL994667 | 0.85 | LMNA (0.44) | — | |
| Hydrochloric Acid SCHEMBL25419008 | 0.85 | ALDH1A1 (0.51) | — | |
| Hydrochloric Acid SCHEMBL25419006 | 0.85 | ALDH1A1 (0.51) | — | |
| Thiomorpholine SCHEMBL8834440 | 0.82 | TSHR (0.41) | — | |
| SCHEMBL18434008 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116234550-A | Aromatic formyl substituted tricyclic compound and preparation method and application thereof | 劲方医药科技(上海)有限公司 | 2023-06-06 | — | — | CN | disclosed |
| WO-2021077031-A1 | COMPOUNDS AND METHODS TARGETING QSOX1 | SAPPHIRE BIOTECH, INC. (US) | 2021-04-22 | — | — | WO | disclosed |
| CN-108349977-A | Jak inhibitor | 无锡福祈制药有限公司 | 2018-07-31 | — | — | CN | disclosed |
| WO-2007002469-A2 | THERAPEUTIC COMPOSITIONS AND METHODS USING TRANSFORMING GROWTH FACTOR-BETA MIMICS | BHATNAGAR RAJENDRA S (US) | 2007-01-04 | — | — | WO | disclosed |