⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4379347 | 0.82 | — | — | |
| SCHEMBL647908 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL3766713 | 0.73 | CA1 (0.39) | — | |
| SCHEMBL357060 | 0.71 | ALDH1A1 (0.31) | — | |
| Phosphine SCHEMBL4090593 | 0.71 | ALDH1A1 (0.31) | — | |
| Potassium Ion SCHEMBL357059 | 0.71 | — | — | |
| SCHEMBL4367948 | 0.65 | — | — | |
| SCHEMBL3010217 | 0.65 | — | — | |
| SCHEMBL1148354 | 0.63 | — | — | |
| SCHEMBL891882 | 0.61 | MEN1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7528287-B2 | Preparation of poly(tetramethylene) glycol | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-05-05 | — | — | US | disclosed |
| US-20070066852-A1 | Preparation of poly(tetramethylene) glycol | THE CHEMOURS COMPANY FC, LLC | 2007-03-22 | — | — | US | disclosed |