⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27479887 | 0.85 | — | — | |
| SCHEMBL28033268 | 0.82 | — | — | |
| SCHEMBL27801344 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL28067666 | 0.76 | — | — | |
| SCHEMBL27892595 | 0.75 | OPRL1 (0.33) | — | |
| SCHEMBL27876002 | 0.75 | CYP2D6 (0.36) | — | |
| SCHEMBL28033728 | 0.75 | — | — | |
| SCHEMBL28033234 | 0.75 | ESR1 (0.33) | — | |
| SCHEMBL22577725 | 0.74 | HDAC4 (0.30) | — | |
| SCHEMBL29270349 | 0.72 | NPC1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104870514-A | Styrenated phenols useful as hardeners or plasticizers for epoxy resins | KOREA KUMHO PETROCHEM CO LTD | 2015-08-26 | — | — | CN | disclosed |