⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10909295 | 0.87 | ALOX15 (0.34) | — | |
| SCHEMBL15074902 | 0.75 | — | — | |
| SCHEMBL16772199 | 0.73 | TET2 (0.37) | — | |
| SCHEMBL17253388 | 0.73 | TET2 (0.37) | — | |
| SCHEMBL5682492 | 0.71 | — | — | |
| SCHEMBL197896 | 0.71 | — | — | |
| Acetone SCHEMBL8583301 | 0.71 | ALDH1A1 (0.45) | — | |
| Acetic Acid SCHEMBL28944238 | 0.71 | ALDH1A1 (0.45) | — | |
| SCHEMBL2926109 | 0.69 | — | — | |
| SCHEMBL640543 | 0.69 | — | — |
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-4599463-A | Process for the preparation of bisphenols | GENERAL ELECTRIC COMPANY (US) | 1986-07-08 | — | — | US | disclosed |
| US-4105697-A | Process for the preparation of α, β-ethylenic aldehydes | RHONE-POULENC INDUSTRIES (FR) | 1978-08-08 | — | — | US | disclosed |