⚠ 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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL8719190 | 0.90 | ALDH1A1 (0.33) | — | |
| Propanol SCHEMBL8724135 | 0.80 | — | — | |
| SCHEMBL554739 | 0.78 | MEN1 (0.33) | — | |
| SCHEMBL37587 | 0.78 | MEN1 (0.33) | — | |
| SCHEMBL15186 | 0.78 | MEN1 (0.33) | — | |
| Isopropyl Alcohol SCHEMBL8724136 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL12506200 | 0.74 | MEN1 (0.31) | — | |
| SCHEMBL33642 | 0.74 | MEN1 (0.31) | — | |
| SCHEMBL1271146 | 0.74 | — | — | |
| SCHEMBL709033 | 0.74 | — | — |
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-RE35975-E | Cleaning and drying of electronic assemblies | RHONE-POULENC CHIMIE (FR) | 1998-12-01 | — | — | US | disclosed |