⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11705118 | 0.98 | PLAU (0.55) | — | |
| SCHEMBL1851255 | 0.81 | PLAU (0.61) | — | |
| SCHEMBL292776 | 0.79 | — | — | |
| SCHEMBL10971356 | 0.77 | — | — | |
| SCHEMBL23214427 | 0.77 | PLAU (0.52) | — | |
| SCHEMBL14547704 | 0.76 | PLAU (0.55) | — | |
| SCHEMBL1854003 | 0.75 | PLAU (0.55) | — | |
| SCHEMBL16310738 | 0.74 | KDM4E (0.44) | — | |
| SCHEMBL1746370 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL12189846 | 0.74 | PLAU (0.53) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170196862-A2 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-07-13 | — | — | US | disclosed |
| US-20050261497-A1 | Catalytic asymmetric hetero diels-alder reaction of a heteroaromatic C-nitroso dienophile: a novel method for synthesis of chiral non-racemic amino alcohols | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2005-11-24 | — | — | US | disclosed |
| WO-2005068457-A1 | CATALTYTIC ASYMMETRIC HETERO DIELS-ALDER REACTION OF A HETEROAROMATIC C-NITROSO DIENOPHILE: A NOVEL METHOD FOR SYNTHESIS OF CHIRAL NON-RACEMIC AMINO ALCOHOLS | UNIVERSITY OF CHICAGO (US) | 2005-07-28 | — | — | WO | disclosed |
| US-4006160-A | Process for the synthesis of N-hydroxypyrroles, N-hydroxyimidazoles, and derivatives thereof | UNIVERSITY OF ALABAMA (US) | 1977-02-01 | — | — | US | disclosed |