⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7793436 | 0.80 | — | — | |
| SCHEMBL16287679 | 0.78 | FDPS (0.33) | — | |
| SCHEMBL19839307 | 0.77 | — | — | |
| SCHEMBL27868557 | 0.76 | — | — | |
| SCHEMBL27948565 | 0.74 | SMPD1 (0.32) | — | |
| SCHEMBL11289016 | 0.73 | — | — | |
| SCHEMBL5697594 | 0.73 | HSD17B10 (0.32) | — | |
| SCHEMBL1776481 | 0.72 | — | — | |
| SCHEMBL6340376 | 0.72 | — | — | |
| SCHEMBL27948536 | 0.72 | FDPS (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0553400-A1 | Partial esters of epoxy containing compounds and related halogen containing polymer compositions | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1993-08-04 | — | — | EP | claimed |
| CN-102648223-A | Copolyester polyol, prepolymer, polyurethane elastomer formed therefrom, and method for preparing same | CHEMTURA CORP | 2012-08-22 | — | — | CN | disclosed |