⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27504039 | 0.88 | — | — | |
| SCHEMBL3922845 | 0.80 | — | — | |
| Methacrylic Acid SCHEMBL21835888 | 0.79 | TDP1 (0.40) | — | |
| Acetone SCHEMBL28144340 | 0.78 | — | — | |
| Sulfuric Acid SCHEMBL6789198 | 0.78 | — | — | |
| Methyl Alcohol SCHEMBL2747268 | 0.77 | — | — | |
| Sulfuric Acid SCHEMBL9442079 | 0.75 | CA5A (0.50) | — | |
| Acetic Acid SCHEMBL7172246 | 0.75 | — | — | |
| Thiosulfuric Acid SCHEMBL28790193 | 0.72 | — | — | |
| Thiosulfuric Acid SCHEMBL28790194 | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8618103-B2 | Inhibitors of JAK | HOFFMANN-LA ROCHE INC. (US) | 2013-12-31 | — | — | US | disclosed |
| EP-2475667-A1 | INHIBITORS OF JAK | F. Hoffmann-La Roche AG (CH) | 2012-07-18 | — | — | EP | disclosed |
| WO-2011029804-A1 | INHIBITORS OF JAK | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-17 | — | — | WO | disclosed |
| US-20110059118-A1 | INHIBITORS OF JAK | DE VICENTE FIDALGO JAVIER | 2011-03-10 | — | — | US | disclosed |
| US-4261925-A | Surfactants | THE DOW CHEMICAL COMPANY (US) | 1981-04-14 | — | — | US | disclosed |
| US-4186191-A | Novel complexes of polyoxazolines or polyoxazines and halogens, interhalogens or pseudohalogens and process for preparing same | THE DOW CHEMICAL COMPANY (US) | 1980-01-29 | — | — | US | disclosed |
| US-4182733-A | REACTING PHOSPHORIC ACID ESTER WITH HALOGENATING AGENT AND AN OLEFIN | BAYER AKTIENGESELLSCHAFT (DE) | 1980-01-08 | — | — | US | disclosed |
| US-4144211-A | Novel complexes of polyoxazolines or polyoxazines and halogens, interhalogens or pseudo-halogens and process for preparing same | THE DOW CHEMICAL COMPANY (US) | 1979-03-13 | — | — | US | disclosed |
| US-4138452-A | INTERMEDIATES FOR INSECTICIDES AND FLAMEPROOFING AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1979-02-06 | — | — | US | disclosed |
| US-4120804-A | POLYOLEFINS | THE DOW CHEMICAL COMPANY (US) | 1978-10-17 | — | — | US | disclosed |