⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28871068 | 0.87 | TSHR (0.50) | — | |
| SCHEMBL5503309 | 0.87 | TSHR (0.57) | — | |
| Hydrochloric Acid SCHEMBL1161966 | 0.85 | TSHR (0.55) | — | |
| SCHEMBL2607887 | 0.85 | — | — | |
| SCHEMBL9116630 | 0.82 | TSHR (0.53) | — | |
| SCHEMBL11898443 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL20820002 | 0.79 | CES1 (0.44) | — | |
| SCHEMBL27549815 | 0.79 | PAOX (0.43) | — | |
| SCHEMBL3630253 | 0.79 | DGKA (0.54) | — | |
| Alcohol SCHEMBL7598918 | 0.79 | TSHR (0.52) | — |
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-6348601-B2 | HEATING AMMONIA WITH METHANOL IN PRESENCE OF A CATALYST; REACTING WITH GAMMA-BUTYROLACTONE | BASF AKTIENGESELLSCHAFT (DE) | 2002-02-19 | — | — | US | disclosed |
| US-20010018528-A1 | Preparation of N-methy1-2-pyrrolidone (NMP) | BASF AKTIEGESELLSCHAFT (DE) | 2001-08-30 | — | — | US | disclosed |