⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6606610 | 0.78 | — | — | |
| SCHEMBL9350684 | 0.76 | LMNA (0.45) | — | |
| SCHEMBL5724756 | 0.75 | — | — | |
| SCHEMBL278457 | 0.75 | — | — | |
| SCHEMBL10751495 | 0.74 | NOS1 (0.32) | — | |
| SCHEMBL128494 | 0.72 | — | — | |
| SCHEMBL27969799 | 0.71 | HCAR2 (0.31) | — | |
| SCHEMBL2853189 | 0.71 | — | — | |
| SCHEMBL440250 | 0.71 | — | — | |
| SCHEMBL28346497 | 0.70 | KDM4E (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6191283-B1 | Pyrazole intermediates in a method of preparation of β-amino acids | NDSU-RESEARCH FOUNDATION | 2001-02-20 | — | — | US | disclosed |
| US-6080857-A | CONTACTING AN AMINE NUCLEOPHILE WITH AN A,B-UNSATURATED AMIDE DERIVATIVE SUCH AS ACYL UREA, OR CARBOXYLIC IMIDE IN THE PRESENCE OF A CHIRAL LEWIS ACID COMPLEX OF A CHIRAL BISOXAZOLINYLMETHANE WITH AN AZOPHILIC METACATION SALT | NORTH DAKOTA STATE UNIVERSITY (US) | 2000-06-27 | — | — | US | disclosed |