⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL56411 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL5211248 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL284066 | 0.82 | — | — | |
| Water SCHEMBL28188005 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL694580 | 0.78 | — | — | |
| SCHEMBL27684699 | 0.77 | TSHR (0.42) | — | |
| Propane SCHEMBL27599952 | 0.73 | — | — | |
| Propane SCHEMBL11327233 | 0.71 | — | — | |
| SCHEMBL14016321 | 0.69 | — | — | |
| SCHEMBL30359360 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003053536-A1 | NOVEL DEMULSIFIERS,THEIR PREPARATION AND USE IN OIL BEARING FORMATIONS | ONDEO NALCO ENERGY SERVICES, L.P. (US) | 2003-07-03 | — | — | WO | claimed |
| CN-101469006-B | Metal complexes of tridentate beta-ketoiminates | AIR PROD & CHEM | 2013-03-06 | — | — | CN | disclosed |
| CN-101469006-A | Metal complexes of tridentate beta-ketoiminates | AIR PROD & CHEM (US) | 2009-07-01 | — | — | CN | disclosed |