⚠ 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 | |
|---|---|---|---|---|
| Aniline SCHEMBL9755597 | 0.92 | TSHR (1.00) | — | |
| Aniline SCHEMBL30471194 | 0.92 | — | — | |
| SCHEMBL22096536 | 0.92 | TSHR (1.00) | — | |
| Aniline SCHEMBL16922171 | 0.92 | — | — | |
| Aniline SCHEMBL11811648 | 0.92 | TSHR (1.00) | — | |
| Aniline SCHEMBL29395910 | 0.92 | — | — | |
| Aniline SCHEMBL30876135 | 0.92 | — | — | |
| Aniline SCHEMBL11803 | 0.92 | — | — | |
| SCHEMBL18517570 | 0.92 | TSHR (1.00) | — | |
| Aniline SCHEMBL28324699 | 0.92 | TSHR (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102086302-B | Preparing method for molybdenum oxide - polyaniline composite nanowire and nanotube | UNIV FUDAN | 2012-08-01 | — | — | CN | disclosed |
| CN-102086302-A | Preparing method for molybdenum oxide - polyaniline composite nanowire and nanotube | UNIV FUDAN | 2011-06-08 | — | — | CN | disclosed |