⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6420400 | 0.90 | ALDH1A1 (0.41) | — | |
| SCHEMBL575178 | 0.82 | — | — | |
| SCHEMBL10836999 | 0.81 | ALDH1A1 (0.59) | — | |
| SCHEMBL10835838 | 0.81 | TSHR (0.34) | — | |
| SCHEMBL304813 | 0.79 | — | — | |
| SCHEMBL10836771 | 0.78 | ALDH1A1 (0.37) | — | |
| SCHEMBL11213079 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL15341647 | 0.77 | — | — | |
| SCHEMBL6777161 | 0.77 | — | — | |
| SCHEMBL203347 | 0.77 | — | — |
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-4568759-A | Preparation of epoxides | THE DOW CHEMICAL COMPANY (US) | 1986-02-04 | — | — | US | disclosed |
| US-4387237-A | DECOMPOSITION OF B-HALOALKYL CARBONATES | THE DOW CHEMICAL COMPANY (US) | 1983-06-07 | — | — | US | disclosed |