⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11532883 | 0.77 | LMNA (0.32) | — | |
| SCHEMBL13401052 | 0.72 | TLR8 (0.36) | — | |
| SCHEMBL13401051 | 0.68 | CETP (0.47) | — | |
| SCHEMBL11861701 | 0.67 | MEN1 (0.40) | — | |
| SCHEMBL2985804 | 0.64 | CETP (0.52) | — | |
| SCHEMBL17153858 | 0.63 | CETP (0.55) | — | |
| SCHEMBL564057 | 0.63 | CETP (0.55) | — | |
| SCHEMBL3125038 | 0.63 | CETP (0.55) | — | |
| SCHEMBL2984817 | 0.63 | CETP (0.55) | — | |
| SCHEMBL11510817 | 0.62 | CETP (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4134914-A | 1-Acyl-4-substituted phenyl thiosemicarbazides | ELI LILLY AND COMPANY (US) | 1979-01-16 | — | — | US | disclosed |
| US-4082762-A | 4-(2-HALOPHENYL)-1,2,4-TRIAZOLE-3-THIOL COMPOUNDS | ELI LILLY AND COMPANY (US) | 1978-04-04 | — | — | US | disclosed |
| US-3937713-A | Process for the preparation of s-triazolo[3,4-b]benzothiazoles | ELI LILLY AND COMPANY (US) | 1976-02-10 | — | — | US | disclosed |