⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11725426 | 0.78 | — | — | |
| SCHEMBL3189547 | 0.76 | — | — | |
| SCHEMBL9248190 | 0.76 | — | — | |
| SCHEMBL891532 | 0.69 | — | — | |
| SCHEMBL1904322 | 0.69 | — | — | |
| SCHEMBL450190 | 0.69 | — | — | |
| SCHEMBL29204158 | 0.69 | — | — | |
| SCHEMBL17295917 | 0.69 | — | — | |
| SCHEMBL10957457 | 0.69 | — | — | |
| SCHEMBL28986796 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6143892-A | REACTING AN ORGANOMETALLIC COMPOUND WITH AN ACTIVATED FORM OF CARBOXYLIC ACID TO FORM A KETONE, TREATING KETONE WITH A MIXTURE OF CARBON DISULFIDE AND DIHALOMETHANE, AMIDATING WITH AMINE, CONDENSING THE THIOAMIDE WITH HYDRAZINE OR DERIVATIVE | G. D. SEARLE & CO. (US) | 2000-11-07 | — | — | US | disclosed |