⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL594489 | 0.88 | — | — | |
| SCHEMBL11211913 | 0.88 | — | — | |
| SCHEMBL29412221 | 0.88 | — | — | |
| SCHEMBL391833 | 0.88 | — | — | |
| Ether SCHEMBL8147469 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL349852 | 0.76 | — | — | |
| SCHEMBL19387278 | 0.74 | — | — | |
| SCHEMBL5012245 | 0.74 | — | — | |
| SCHEMBL11768379 | 0.70 | CA1 (0.39) | — | |
| SCHEMBL8770944 | 0.70 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4357396-A | MIRRORS | PPG INDUSTRIES, INC. (US) | 1982-11-02 | — | — | US | disclosed |