⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3675121 | 0.69 | PTPN1 (0.31) | — | |
| SCHEMBL10375234 | 0.65 | PTPN1 (0.38) | — | |
| SCHEMBL22556904 | 0.65 | — | — | |
| SCHEMBL11945783 | 0.63 | ALDH1A1 (0.36) | — | |
| SCHEMBL4644591 | 0.62 | — | — | |
| SCHEMBL28541827 | 0.62 | — | — | |
| SCHEMBL11385356 | 0.59 | PTPN1 (0.32) | — | |
| SCHEMBL268408 | 0.59 | — | — | |
| SCHEMBL13737596 | 0.59 | — | — | |
| SCHEMBL270140 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007139655-A1 | POLYESTER COMPOSITIONS WHICH COMPRISE CYCLOBUTANEDIOL AND CERTAIN THERMAL STABILIZERS, AND/OR REACTION PRODUCTS THEREOF | EASTMAN CHEMICAL COMPANY (US) | 2007-12-06 | — | — | WO | disclosed |
| WO-2007139663-A1 | POLYESTER COMPOSITIONS WHICH COMPRISE CYCLOBUTANEDIOL AND CERTAIN THERMAL STABILIZERS, AND/OR REACTION PRODUCTS THEREOF | EASTMAN CHEMICAL COMPANY (US) | 2007-12-06 | — | — | WO | disclosed |