⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18086618 | 0.80 | TSHR (0.46) | — | |
| SCHEMBL4300417 | 0.78 | — | — | |
| SCHEMBL27902857 | 0.78 | — | — | |
| SCHEMBL3886081 | 0.78 | — | — | |
| SCHEMBL7187704 | 0.76 | TSHR (0.38) | — | |
| SCHEMBL7192928 | 0.76 | TSHR (0.38) | — | |
| SCHEMBL7184000 | 0.76 | TSHR (0.38) | — | |
| SCHEMBL610322 | 0.74 | TSHR (0.35) | — | |
| Urea SCHEMBL238973 | 0.73 | TSHR (0.45) | — | |
| SCHEMBL27629792 | 0.73 | TSHR (0.50) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050180607-A1 | Method for conducting automated surface inspection and surface correction | BASF AKTIENGESELLSCHAFT (DE) | 2005-08-18 | — | — | US | disclosed |
| US-20050004259-A1 | Dyeing formulations | BASF AKTIENGESELLSCHAFT (DE) | 2005-01-06 | — | — | US | disclosed |
| US-6770331-B1 | COMPRISING DISPERSANT AND LOW MOLECULAR WEIGHT POLYTETRAHYDROFURAN FOR PRINTING SHEETLIKE OR THREE-DIMENSIONALLY CONFIGURED SUBSTRATES BY THE INK-JET PROCESS | BASF AKTIENGESELLSCHAFT (DE) | 2004-08-03 | — | — | US | disclosed |
| US-6332943-B1 | PRINTING SHEETS | BASF AKTIENGESELLSCHAFT (DE) | 2001-12-25 | — | — | US | disclosed |