⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28842043 | 0.81 | ALDH1A1 (0.37) | — | |
| SCHEMBL980998 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL10426359 | 0.75 | — | — | |
| SCHEMBL28732474 | 0.75 | TSHR (0.30) | — | |
| SCHEMBL528607 | 0.73 | ALDH1A1 (0.46) | — | |
| SCHEMBL15093993 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL25442 | 0.71 | — | — | |
| SCHEMBL124813 | 0.69 | — | — | |
| SCHEMBL7748991 | 0.69 | — | — | |
| SCHEMBL2991355 | 0.68 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1345464-A | Application of multifunctional silicon-based oligomer/polymer nano-pore silica film in surface modification | ALLIED SIGNAL INC (US) | 2002-04-17 | — | — | CN | claimed |
| CN-102089405-B | Additives to prevent degradation of cyclic alkene derivatives | FUJIFILM ELECTRONIC MATERIALS | 2013-10-16 | — | — | CN | disclosed |
| CN-1345464-A | Application of multifunctional silicon-based oligomer/polymer nano-pore silica film in surface modification | ALLIED SIGNAL INC (US) | 2002-04-17 | — | — | CN | disclosed |
| EP-0573575-A1 | SUBSTITUTED PYRIDINE COMPOUNDS | ROHM AND HAAS COMPANY (US) | 1993-12-15 | — | — | EP | disclosed |
| WO-1992014711-A1 | SUBSTITUTED PYRIDINE COMPOUNDS | MONSANTO COMPANY (US) | 1992-09-03 | — | — | WO | disclosed |