⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4167430 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL30514689 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL9238628 | 0.70 | TSHR (0.39) | — | |
| SCHEMBL5927984 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL620057 | 0.65 | ALDH1A1 (0.38) | — | |
| SCHEMBL1420315 | 0.65 | — | — | |
| SCHEMBL31345272 | 0.65 | ALDH1A1 (0.40) | — | |
| Glycerin SCHEMBL10788232 | 0.64 | ALDH1A1 (0.47) | — | |
| SCHEMBL9368956 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL23163231 | 0.63 | TSHR (0.44) | — |
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-5006623-A | Good mechanical, electrical characteristics | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1991-04-09 | — | — | US | disclosed |