⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11233584 | 0.86 | TSHR (0.31) | — | |
| SCHEMBL732353 | 0.80 | — | — | |
| SCHEMBL15414787 | 0.80 | — | — | |
| SCHEMBL3142501 | 0.76 | — | — | |
| SCHEMBL11681881 | 0.75 | — | — | |
| SCHEMBL7183849 | 0.74 | — | — | |
| SCHEMBL6446805 | 0.73 | TSHR (0.38) | — | |
| Hydrochloric Acid SCHEMBL11276196 | 0.73 | — | — | |
| Iodide SCHEMBL11266652 | 0.73 | — | — | |
| SCHEMBL2173101 | 0.73 | — | — |
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-4332612-A | N-METHYL-2-PYRROLIDONE AND A HALOALKYL SILANE | GAF CORPORATION (US) | 1982-06-01 | — | — | US | disclosed |