⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5488 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL11591553 | 0.89 | — | — | |
| Sulfur Dioxide SCHEMBL4449595 | 0.80 | — | — | |
| Acetone SCHEMBL5390 | 0.76 | — | — | |
| Acetone SCHEMBL29195454 | 0.76 | — | — | |
| Acetone SCHEMBL7197268 | 0.76 | — | — | |
| SCHEMBL940641 | 0.74 | — | — | |
| Acetic Acid SCHEMBL6264986 | 0.71 | FFAR3 (0.88) | — | |
| Acetic Acid SCHEMBL5328943 | 0.71 | FFAR3 (0.88) | — | |
| Acetic Acid SCHEMBL5757863 | 0.71 | FFAR3 (0.88) | — |
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-4659863-A | REACTING METHYL ACRYLATE AND HINDERED PHENOL IN PRESENCE OF ALKALI METAL ALKALINE CATALYST | ETHYL CORPORATION (US) | 1987-04-21 | — | — | US | disclosed |