⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17553345 | 0.75 | — | — | |
| SCHEMBL940708 | 0.59 | — | — | |
| SCHEMBL16661634 | 0.59 | — | — | |
| SCHEMBL9580987 | 0.59 | — | — | |
| Bromide SCHEMBL23700178 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL737415 | 0.59 | — | — | |
| SCHEMBL22458667 | 0.59 | — | — | |
| Iodide SCHEMBL25394051 | 0.59 | — | — | |
| SCHEMBL2255302 | 0.57 | — | — | |
| SCHEMBL1549774 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111094375-B | Blocking agent dissociation catalyst for blocked isocyanate and thermosetting composition containing the same | 广荣化学株式会社 | 2022-04-01 | — | — | CN | disclosed |
| CN-111094375-A | Blocking agent dissociation catalyst for blocked isocyanate and thermosetting composition containing the same | 广荣化学工业株式会社 | 2020-05-01 | — | — | CN | disclosed |
| US-7618971-B2 | Mitotic kinesin inhibitors | MERCK & CO. INC. (US) | 2009-11-17 | — | — | US | disclosed |
| US-7393599-B2 | Luminescent compounds with carbene ligands | THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2008-07-01 | — | — | US | disclosed |
| US-20080027058-A1 | Mitotic Kinesin Inhibitors | MERCK SHARP & DOHME CORP. | 2008-01-31 | — | — | US | disclosed |