⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL203812 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL437089 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL1899483 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL1751456 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL3476374 | 0.69 | — | — | |
| SCHEMBL4333058 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL3355262 | 0.67 | TSHR (0.35) | — | |
| SCHEMBL392932 | 0.67 | EPHX1 (0.30) | — | |
| SCHEMBL808949 | 0.65 | FAAH (0.35) | — | |
| SCHEMBL6012107 | 0.65 | AKR1B1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114853804-B | Method for synthesizing high-regioselectivity alpha-alkenyl stannane by hydrogenating terminal alkyne stannum marshi | 浙江大学 | 2024-07-05 | — | — | CN | disclosed |
| CN-114853804-A | Method for synthesizing high-regioselectivity alpha-alkenyl stannane by hydrogenation of terminal alkyne martensitic tin | 浙江大学 | 2022-08-05 | — | — | CN | disclosed |