⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29657202 | 0.68 | BRD4 (0.44) | — | |
| SCHEMBL29657070 | 0.68 | — | — | |
| SCHEMBL29657244 | 0.66 | — | — | |
| SCHEMBL29657255 | 0.65 | TDP1 (0.34) | — | |
| SCHEMBL29657157 | 0.64 | BRD4 (0.35) | — | |
| SCHEMBL29657122 | 0.59 | — | — | |
| SCHEMBL29657183 | 0.59 | HDAC4 (0.32) | — | |
| SCHEMBL29657250 | 0.58 | — | — | |
| SCHEMBL19737389 | 0.58 | ERN1 (0.34) | — | |
| Phosphoric Acid Monomethyl Ester SCHEMBL31590418 | 0.51 | — | — |
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-11286240-B2 | Catalyst bound alpha radical and synthesis of OXO compounds using the same | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2022-03-29 | — | — | US | claimed |
| US-11286240-B2 | Catalyst bound alpha radical and synthesis of OXO compounds using the same | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2022-03-29 | — | — | US | disclosed |