⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL104863 | 0.81 | LMNA (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL29153382 | 0.79 | LMNA (0.30) | — | |
| SCHEMBL16714765 | 0.75 | LMNA (0.31) | — | |
| Isopropylamine SCHEMBL28749037 | 0.74 | — | — | |
| Ethylamine SCHEMBL3358814 | 0.74 | — | — | |
| Diethylaminoethanol SCHEMBL6848761 | 0.74 | CYP1A2 (0.34) | — | |
| SCHEMBL4921184 | 0.73 | TSHR (0.41) | — | |
| SCHEMBL65283 | 0.73 | — | — | |
| SCHEMBL23898210 | 0.73 | — | — | |
| SCHEMBL6357206 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6685766-B2 | APPLYING ORGANOSILICON COMPOUND OR POLYSILOXANE | DEGUSSA AG (DE) | 2004-02-03 | — | — | US | disclosed |
| US-20030101898-A1 | Corrosion inhibitor for steel-reinforced concrete | DEGUSSA AG (DE) | 2003-06-05 | — | — | US | disclosed |