⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL129254 | 0.65 | — | — | |
| SCHEMBL27803 | 0.53 | — | — | |
| SCHEMBL423198 | 0.51 | — | — | |
| SCHEMBL67456 | 0.50 | — | — | |
| SCHEMBL3339 | 0.48 | — | — | |
| SCHEMBL18753858 | 0.48 | — | — | |
| SCHEMBL586988 | 0.48 | CYP19A1 (0.34) | — | |
| SCHEMBL1426326 | 0.48 | — | — | |
| SCHEMBL9290 | 0.48 | — | — | |
| SCHEMBL332154 | 0.44 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4388319-A | ANTIHISTAMINES, ANTISECRETORY, ANTIINFLAMMATORY, HYPOTENSIVE AGENTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1983-06-14 | — | — | US | claimed |
| US-4271169-A | ANTIHISTAMINES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1981-06-02 | — | — | US | claimed |
| US-20120291159-A1 | Azoline Compounds for Combating Invertebrate Pests | BASF SE (DE) | 2012-11-15 | — | — | US | disclosed |
| WO-2011073444-A2 | AZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS | BASF SE (DE) | 2011-06-23 | — | — | WO | disclosed |
| US-4499101-A | HISTAMINE H2-ANTAGONISTS; ANTISECRETORY ANTIINFLAMMOATORY AGENTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1985-02-12 | — | — | US | disclosed |
| US-4388319-A | ANTIHISTAMINES, ANTISECRETORY, ANTIINFLAMMATORY, HYPOTENSIVE AGENTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1983-06-14 | — | — | US | disclosed |
| US-4271169-A | ANTIHISTAMINES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1981-06-02 | — | — | US | disclosed |
| US-4215125-A | H-2 HISTAMINE RECEPTOR INHIBITORS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1980-07-29 | — | — | US | disclosed |
| US-4152443-A | ANTIHISTAMINES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1979-05-01 | — | — | US | disclosed |
| US-4112104-A | UREA, THIOUREA OR GUANIDINE DERIVATIVES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1978-09-05 | — | — | US | disclosed |
| US-4025527-A | H-2 HISTAMINE RECEPTOR INHIBITORS | SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) | 1977-05-24 | — | — | US | disclosed |