⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9457464 | 0.77 | GRIN2D (0.37) | — | |
| Hydrochloric Acid SCHEMBL9457536 | 0.75 | GRIN2D (0.36) | — | |
| SCHEMBL6345473 | 0.74 | ALOX5AP (0.30) | — | |
| SCHEMBL7702618 | 0.74 | ALOX5AP (0.35) | — | |
| SCHEMBL9913257 | 0.74 | GRIN2D (0.35) | — | |
| SCHEMBL21621582 | 0.72 | — | — | |
| SCHEMBL9457622 | 0.71 | GRIN2D (0.32) | — | |
| SCHEMBL34476571 | 0.70 | ALOX5AP (0.31) | — | |
| SCHEMBL24760224 | 0.69 | — | — | |
| Water SCHEMBL9458163 | 0.69 | GRIN2D (0.31) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |