⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8137256 | 0.97 | TP53 (0.41) | — | |
| SCHEMBL8511691 | 0.88 | TP53 (0.32) | — | |
| SCHEMBL11868624 | 0.79 | TP53 (0.34) | — | |
| SCHEMBL11872122 | 0.75 | TP53 (0.32) | — | |
| SCHEMBL11869138 | 0.74 | TP53 (0.35) | — | |
| SCHEMBL3885036 | 0.72 | EPHX1 (0.40) | — | |
| SCHEMBL28836006 | 0.72 | — | — | |
| SCHEMBL11379041 | 0.72 | — | — | |
| SCHEMBL16933771 | 0.72 | — | — | |
| SCHEMBL1849074 | 0.71 | ALDH1A1 (0.41) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000003066-A1 | METHOD OF ELECTROCHEMICALLY PRODUCING EPOXIDES | PPG INDUSTRIES OHIO, INC. (US) | 2000-01-20 | — | — | WO | disclosed |
| US-5997715-A | Method of electrochemically producing epoxides | PPG INDUSTRIES OHIO, INC. (US) | 1999-12-07 | — | — | US | disclosed |
| US-5997716-A | Method of electrochemically producing epoxides | PPG INDUSTRIES OHIO, INC. (US) | 1999-12-07 | — | — | US | disclosed |
| US-5980724-A | Method of electrochemically producing epoxides | PPG INDUSTRIES OHIO, INC. (US) | 1999-11-09 | — | — | US | disclosed |
| US-5972195-A | Method of electrolytically producing epoxides | PPG INDUSTRIES OHIO, INC. (US) | 1999-10-26 | — | — | US | disclosed |