⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6869405 | 0.83 | — | — | |
| SCHEMBL6869401 | 0.83 | — | — | |
| SCHEMBL8019136 | 0.71 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL383860 | 0.70 | — | — | |
| SCHEMBL4446112 | 0.68 | FAAH (0.43) | — | |
| SCHEMBL28665418 | 0.68 | FAAH (0.43) | — | |
| SCHEMBL9123725 | 0.67 | — | — | |
| SCHEMBL28146382 | 0.66 | ADRB2 (0.36) | — | |
| SCHEMBL17004015 | 0.66 | — | — | |
| SCHEMBL6871308 | 0.66 | — | — |
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-5225606-A | Alk-1-enyl ethers | ISP INVESTMENTS INC. (US) | 1993-07-06 | — | — | US | disclosed |