⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7933367 | 0.88 | TSHR (0.46) | — | |
| SCHEMBL11514263 | 0.84 | TSHR (0.39) | — | |
| SCHEMBL5549506 | 0.82 | — | — | |
| SCHEMBL5831363 | 0.81 | — | — | |
| SCHEMBL14224343 | 0.79 | TSHR (0.33) | — | |
| SCHEMBL17233353 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL9756530 | 0.75 | MEN1 (0.37) | — | |
| SCHEMBL1490802 | 0.74 | — | — | |
| SCHEMBL14670185 | 0.74 | LMNA (0.30) | — | |
| SCHEMBL1921382 | 0.74 | LMNA (0.30) | — |
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-0794181-A1 | Asymmetric epoxidation using a titanium-containing zeolite and a chiral hydroperoxide | ARCO Chemical Technology, L.P. (US) | 1997-09-10 | — | — | EP | disclosed |
| US-5663384-A | Asymetric epoxidation using a titanium-containing zeolite and a chiral hydroperoxide | ARCO CHEMICAL TECHNOLOGY, L.P. (US) | 1997-09-02 | — | — | US | disclosed |
| US-5166371-A | Catalytic epoxidation of allyl alcohol using a hydroperoxide | ARCO CHEMICAL TECHNOLOGY, L.P. (US) | 1992-11-24 | — | — | US | disclosed |
| EP-0472790-A1 | Asymmetric epoxidation using a chiral hydroperoxide | ARCO Chemical Technology, L.P. (US) | 1992-03-04 | — | — | EP | disclosed |