⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11501962 | 0.79 | — | — | |
| SCHEMBL11502176 | 0.79 | — | — | |
| SCHEMBL10659833 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL11027703 | 0.72 | CHRNB2 (0.33) | — | |
| SCHEMBL11502089 | 0.72 | CA12 (0.36) | — | |
| SCHEMBL11501848 | 0.72 | DPP4 (0.34) | — | |
| SCHEMBL11263810 | 0.72 | — | — | |
| SCHEMBL11264386 | 0.70 | MGLL (0.33) | — | |
| SCHEMBL11502135 | 0.70 | DNM1 (0.43) | — | |
| SCHEMBL10832887 | 0.69 | — | — |
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-4151353-A | INSECTICIDE AND MITICIDE INTERMEDIATES | UNION CARBIDE CORPORATION (US) | 1979-04-24 | — | — | US | disclosed |