⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11567512 | 0.69 | — | — | |
| SCHEMBL11558439 | 0.69 | — | — | |
| SCHEMBL11564786 | 0.67 | ALDH1A1 (0.47) | — | |
| SCHEMBL16970390 | 0.65 | — | — | |
| SCHEMBL28006193 | 0.63 | — | — | |
| SCHEMBL2467380 | 0.61 | — | — | |
| SCHEMBL11372037 | 0.61 | — | — | |
| SCHEMBL2458799 | 0.60 | — | — | |
| SCHEMBL2458796 | 0.60 | — | — | |
| SCHEMBL11094594 | 0.60 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5739093-A | DETERGENT CONTAINING ETHYLENE APARTIC GLUTAMIC ACID OR SALT THEREOF; IMPROVED STAIN REMOVAL | LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) | 1998-04-14 | — | — | US | disclosed |