⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18429940 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL196973 | 0.80 | — | — | |
| SCHEMBL5275105 | 0.79 | TSHR (0.36) | — | |
| SCHEMBL56354 | 0.77 | — | — | |
| SCHEMBL11691785 | 0.76 | CYP3A4 (0.37) | — | |
| SCHEMBL13190832 | 0.75 | ALDH1A1 (0.45) | — | |
| SCHEMBL6948588 | 0.75 | — | — | |
| SCHEMBL8923002 | 0.75 | ALDH1A1 (0.45) | — | |
| SCHEMBL601746 | 0.75 | ALDH1A1 (0.45) | — | |
| SCHEMBL6947994 | 0.75 | — | — |
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 |