⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31365180 | 0.82 | — | — | |
| SCHEMBL31365181 | 0.82 | — | — | |
| SCHEMBL13134695 | 0.82 | — | — | |
| SCHEMBL5959172 | 0.74 | SLC6A1 (0.46) | — | |
| SCHEMBL13432 | 0.74 | — | — | |
| SCHEMBL27881191 | 0.74 | SLC6A1 (0.46) | — | |
| SCHEMBL10884 | 0.74 | — | — | |
| SCHEMBL11114 | 0.74 | — | — | |
| Methane SCHEMBL1492450 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL916269 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111298127-A | Composition comprising histamine release-promoting substance and inhibitory compound, and oral solid preparation containing the same | 黄泳华 | 2020-06-19 | — | — | CN | claimed |
| EP-1747206-A1 | AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE | ABBOTT LABORATORIES (US) | 2007-01-31 | — | — | EP | claimed |
| WO-2005111003-A1 | AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE | ABBOTT LABORATORIES (US) | 2005-11-24 | — | — | WO | claimed |
| WO-2004111062-A1 | PARA-PHENYLENEDIAMINE DERIVATIVES COMPRISING A DIAZACYCLOHEPTANE RING SUBSTITUTED WITH A SILYL RADICAL, FOR DYEING KERATIN FIBRES | L'OREAL (FR) | 2004-12-23 | — | — | WO | claimed |
| CN-116969977-A | PAN-KRAS inhibitors | 北京华森英诺生物科技有限公司 | 2023-10-31 | — | — | CN | disclosed |
| EP-2001485-B1 | DIAZEPAN OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2015-09-09 | — | — | EP | disclosed |
| EP-2867232-A1 | 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE | F. Hoffmann-La Roche AG (CH) | 2015-05-06 | — | — | EP | disclosed |
| WO-2014001377-A1 | 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2014-01-03 | — | — | WO | disclosed |
| WO-2011154798-A1 | NOVEL 1,4-DIAZEPAM PDE-5 INHIBITOR DERIVATIVES | WORLD-TRADE IMPORT-EXPORT WTIE, AG (CH) | 2011-12-15 | — | — | WO | disclosed |
| EP-1633724-A1 | PHTHALAZINONE DERIVATIVES | Kudos Pharmaceuticals Limited (GB) | 2006-03-15 | — | — | EP | disclosed |
| WO-2004080976-A1 | PHTHALAZINONE DERIVATIVES | KUDOS PHARMACEUTICALS LIMITED (GB) | 2004-09-23 | — | — | WO | disclosed |