⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18931684 | 0.78 | — | — | |
| SCHEMBL3814670 | 0.74 | KLKB1 (0.38) | — | |
| SCHEMBL15810207 | 0.73 | — | — | |
| SCHEMBL1272252 | 0.70 | NPC1 (0.33) | — | |
| SCHEMBL6995058 | 0.70 | KDM4E (0.62) | — | |
| Hydrochloric Acid SCHEMBL6997040 | 0.69 | KDM4E (0.60) | — | |
| SCHEMBL1272250 | 0.69 | — | — | |
| SCHEMBL6627679 | 0.67 | — | — | |
| SCHEMBL254474 | 0.66 | — | — | |
| SCHEMBL4546216 | 0.63 | KDM4E (0.58) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8916593-B2 | Alkoxy-substituted 2-aminopyridines as ALK inhibitors | PFIZER INC. (US) | 2014-12-23 | — | — | US | disclosed |
| US-20130196952-A1 | HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES | PFIZER INC. (US) | 2013-08-01 | — | — | US | disclosed |
| EP-0974602-B1 | Catalyst and process for hydrogenating olefinically unsaturated compound | JSR CORP (JP) | 2004-01-02 | — | — | EP | disclosed |
| US-6291596-B1 | CONTACTING OLEFINICALLY UNSATURATED COMPOUND WITH HYDROGEN IN THE PRESENCE OF A HYDROGENATION CATALYST COMPRISING TITANIUM OR ZIRCONIUM OR HAFNIUM COMPOUND IN AN INERT, ORGANIC SOLVENT | JSR CORPORATION (JP) | 2001-09-18 | — | — | US | disclosed |
| EP-0974602-A1 | Catalyst and process for hydrogenating olefinically unsaturated compound | JSR Corporation (JP) | 2000-01-26 | — | — | EP | disclosed |