⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5522764 | 0.94 | ALDH1A1 (0.33) | — | |
| SCHEMBL8764612 | 0.92 | — | — | |
| SCHEMBL6911477 | 0.92 | ALDH1A1 (0.32) | — | |
| SCHEMBL48603 | 0.88 | ALDH1A1 (0.34) | — | |
| SCHEMBL6910768 | 0.88 | AOC3 (0.32) | — | |
| SCHEMBL8764562 | 0.85 | ALDH1A1 (0.32) | — | |
| SCHEMBL5837930 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL9179742 | 0.83 | ALDH1A1 (0.36) | — | |
| SCHEMBL48321 | 0.81 | AOC3 (0.36) | — | |
| SCHEMBL8540338 | 0.79 | AOC3 (0.38) | — |
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-7951870-B2 | Golf ball compositions having in-situ or reactive impact modified silicone-urea or silicone urethane | ACUSHNET COMPANY (US) | 2011-05-31 | — | — | US | disclosed |