⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10771174 | 0.64 | — | — | |
| SCHEMBL5693210 | 0.62 | — | — | |
| SCHEMBL253187 | 0.62 | — | — | |
| SCHEMBL253064 | 0.62 | — | — | |
| SCHEMBL9277732 | 0.57 | — | — | |
| SCHEMBL5687757 | 0.56 | — | — | |
| SCHEMBL1155353 | 0.55 | ALDH1A1 (0.32) | — | |
| SCHEMBL11581731 | 0.55 | ALDH1A1 (0.38) | — | |
| SCHEMBL4833513 | 0.55 | — | — | |
| SCHEMBL27803950 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1817363-A1 | CHEMICAL SENSORS COMPRISING ANILINE POLYSILOXANES AS SENSITIVE MATERIALS AND USE THEREOF FOR DETECTING OF ASSAYING NITRO COMPOUNDS | Commissariat à l'Energie Atomique (FR) | 2007-08-15 | — | — | EP | disclosed |
| WO-2006037921-A1 | CHEMICAL SENSORS COMPRISING ANILINE POLYSILOXANES AS SENSITIVE MATERIALS AND USE THEREOF FOR DETECTING OF ASSAYING NITRO COMPOUNDS | COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) | 2006-04-13 | — | — | WO | disclosed |