⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1726935 | 0.94 | TSHR (0.32) | — | |
| Hydrochloric Acid SCHEMBL1326222 | 0.92 | TSHR (0.30) | — | |
| SCHEMBL3078932 | 0.85 | TSHR (0.32) | — | |
| Sulfuric Acid SCHEMBL14836672 | 0.83 | TP53 (0.33) | — | |
| SCHEMBL15064329 | 0.81 | — | — | |
| SCHEMBL361077 | 0.81 | ALDH1A1 (0.38) | — | |
| SCHEMBL11429120 | 0.78 | TSHR (0.35) | — | |
| SCHEMBL2787839 | 0.78 | TSHR (0.35) | — | |
| Hydrochloric Acid SCHEMBL142823 | 0.78 | ALDH1A1 (0.35) | — | |
| Water SCHEMBL5407251 | 0.78 | ALDH1A1 (0.35) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107532294-B | Raw material for chemical vapor deposition comprising organic platinum compound and chemical vapor deposition method using same | 田中贵金属工业株式会社 | 2019-09-13 | — | — | CN | disclosed |
| US-8143451-B2 | Reacting a ketone with an allyl boron compound anc ammonia or ammonium salt; synthons | KANATA CHEMICAL TECHNOLOGIES INC. (CA) | 2012-03-27 | — | — | US | disclosed |
| US-8143451-B2 | Reacting a ketone with an allyl boron compound anc ammonia or ammonium salt; synthons | KANATA CHEMICAL TECHNOLOGIES INC. (CA) | 2012-03-27 | — | — | US | disclosed |
| US-8143451-B2 | Reacting a ketone with an allyl boron compound anc ammonia or ammonium salt; synthons | KANATA CHEMICAL TECHNOLOGIES INC. (CA) | 2012-03-27 | — | — | US | disclosed |
| US-20080139847-A1 | METHODS OF PREPARING TERTIARY CARBINAMINE COMPOUNDS | KANATA CHEMICAL TECHNOLOGIES INC. (CA) | 2008-06-12 | — | — | US | disclosed |
| US-20080139847-A1 | METHODS OF PREPARING TERTIARY CARBINAMINE COMPOUNDS | KANATA CHEMICAL TECHNOLOGIES INC. (CA) | 2008-06-12 | — | — | US | disclosed |
| US-20080139847-A1 | METHODS OF PREPARING TERTIARY CARBINAMINE COMPOUNDS | KANATA CHEMICAL TECHNOLOGIES INC. (CA) | 2008-06-12 | — | — | US | disclosed |