⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15808525 | 0.83 | — | — | |
| Urea SCHEMBL8376677 | 0.81 | TSHR (0.41) | — | |
| SCHEMBL9559992 | 0.80 | TSHR (0.38) | — | |
| SCHEMBL12527197 | 0.78 | TSHR (0.39) | — | |
| SCHEMBL181244 | 0.78 | TSHR (0.41) | — | |
| SCHEMBL11129625 | 0.77 | — | — | |
| SCHEMBL8383906 | 0.77 | — | — | |
| SCHEMBL2952521 | 0.77 | — | — | |
| SCHEMBL6337958 | 0.76 | TSHR (0.34) | — | |
| SCHEMBL13130741 | 0.75 | TSHR (0.38) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3008055-B1 | TETRAZOLONE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2017-07-19 | — | — | EP | claimed |
| EP-2133340-B1 | Novel benzazepine derivatives | GLAXO GROUP LTD (GB) | 2013-01-16 | — | — | EP | claimed |
| EP-1299377-A2 | SPLA2 INHIBITORS | ELI LILLY AND COMPANY (US) | 2003-04-09 | — | — | EP | claimed |
| WO-2002000641-A2 | SPLA2 INHIBITORS | ELI LILLY AND COMPANY (US) | 2002-01-03 | — | — | WO | claimed |
| EP-1299377-A2 | SPLA2 INHIBITORS | ELI LILLY AND COMPANY (US) | 2003-04-09 | — | — | EP | disclosed |
| WO-2002000641-A2 | SPLA2 INHIBITORS | ELI LILLY AND COMPANY (US) | 2002-01-03 | — | — | WO | disclosed |
| US-4567946-A | BLEND OF TERTIARY AMIDE, ACID, AND WATER SOLUBLE POLYMER | UNION OIL COMPANY OF CALIFORNIA (US) | 1986-02-04 | — | — | US | disclosed |
| US-4487265-A | Acidizing a subterranean reservoir | UNION OIL COMPANY OF CALIFORNIA (US) | 1984-12-11 | — | — | US | disclosed |