⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10793703 | 0.77 | ALDH1A1 (0.37) | — | |
| SCHEMBL10798486 | 0.75 | PSEN1 (0.37) | — | |
| SCHEMBL4295727 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL10796787 | 0.72 | KMT2A (0.40) | — | |
| SCHEMBL10793005 | 0.71 | KIF11 (0.37) | — | |
| SCHEMBL10792949 | 0.71 | KMT2A (0.44) | — | |
| SCHEMBL8375618 | 0.70 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL10792618 | 0.70 | ALDH1A1 (0.50) | — | |
| SCHEMBL10792612 | 0.70 | ESR1 (0.38) | — | |
| SCHEMBL9878147 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6627766-B2 | Use of phenylenediamines and hindered phenols to inhibit polymer formation during the manufacture of acrylonitrile | BAKER HUGHES INCORPORATED | 2003-09-30 | — | — | US | claimed |
| US-6608226-B1 | Low cost | BAKER HUGHES INCORPORATED | 2003-08-19 | — | — | US | claimed |
| US-20030109739-A1 | Use of phenylenediamines and hindered phenols to inhibit polymer formation during the manufacture of acrylonitrile | REID DWIGHT K (US) | 2003-06-12 | — | — | US | claimed |
| US-6627766-B2 | Use of phenylenediamines and hindered phenols to inhibit polymer formation during the manufacture of acrylonitrile | BAKER HUGHES INCORPORATED | 2003-09-30 | — | — | US | disclosed |
| US-6608226-B1 | Low cost | BAKER HUGHES INCORPORATED | 2003-08-19 | — | — | US | disclosed |
| US-20030109739-A1 | Use of phenylenediamines and hindered phenols to inhibit polymer formation during the manufacture of acrylonitrile | REID DWIGHT K (US) | 2003-06-12 | — | — | US | disclosed |