⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21081789 | 0.82 | — | — | |
| SCHEMBL7921311 | 0.79 | — | — | |
| SCHEMBL1192413 | 0.78 | — | — | |
| SCHEMBL9568675 | 0.77 | — | — | |
| SCHEMBL4544096 | 0.77 | — | — | |
| SCHEMBL27321156 | 0.75 | — | — | |
| SCHEMBL16370426 | 0.74 | — | — | |
| SCHEMBL15106010 | 0.74 | — | — | |
| SCHEMBL15106011 | 0.74 | — | — | |
| Allyl Alcohol SCHEMBL11045632 | 0.73 | TSHR (0.45) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100004418-A1 | Method for the Production of Superabsorbers | BASF SE (DE) | 2010-01-07 | — | — | US | disclosed |
| CN-101365653-A | Process for separating mixtures | MOMENTIVE PERFORMANCE MAT INC (US) | 2009-02-11 | — | — | CN | disclosed |
| CN-101365755-A | Composition for separating mixtures | MOMENTIVE PERFORMANCE MAT INC (US) | 2009-02-11 | — | — | CN | disclosed |
| US-20070249502-A1 | Composition for separating mixtures | MOMENTIVE PERFORMANCE MATERIALS INC. | 2007-10-25 | — | — | US | disclosed |
| US-20070125716-A1 | Process for separating mixtures | MOMENTIVE PERFORMANCE MATERIALS INC. | 2007-06-07 | — | — | US | disclosed |