⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL427806 | 0.79 | — | — | |
| SCHEMBL6656837 | 0.75 | — | — | |
| SCHEMBL5933426 | 0.75 | — | — | |
| SCHEMBL5197838 | 0.73 | USP2 (0.33) | — | |
| SCHEMBL5571343 | 0.72 | TSHR (0.35) | — | |
| SCHEMBL11239343 | 0.69 | FAAH (0.35) | — | |
| SCHEMBL5444672 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL28179038 | 0.62 | — | — | |
| SCHEMBL3617450 | 0.59 | — | — | |
| SCHEMBL361187 | 0.59 | — | — |
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-6395225-B1 | ALKYL-(POLYETHYLENIMINE)-IMIDAZOLINE AND ORGANIC MERCAPTO ACID | ELF ATOCHEM S.A. (FR) | 2002-05-28 | — | — | US | claimed |
| US-6395225-B1 | ALKYL-(POLYETHYLENIMINE)-IMIDAZOLINE AND ORGANIC MERCAPTO ACID | ELF ATOCHEM S.A. (FR) | 2002-05-28 | — | — | US | disclosed |