⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2002227 | 0.69 | HTR2C (0.39) | — | |
| Hydrochloric Acid SCHEMBL5774503 | 0.68 | HTR2C (0.38) | — | |
| SCHEMBL24928276 | 0.63 | — | — | |
| SCHEMBL24928280 | 0.61 | — | — | |
| SCHEMBL9941956 | 0.60 | — | — | |
| SCHEMBL27733922 | 0.60 | — | — | |
| SCHEMBL25950872 | 0.58 | — | — | |
| SCHEMBL25084601 | 0.58 | GFER (0.34) | — | |
| SCHEMBL24928602 | 0.58 | — | — | |
| SCHEMBL25950970 | 0.58 | CYP11B1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2170851-B1 | MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS | GILEAD SCIENCES INC (US) | 2013-09-04 | — | — | EP | disclosed |
| US-8088770-B2 | Modulators of pharmacokinetic properties of therapeutics | GILEAD SCIENCES, INC. (US) | 2012-01-03 | — | — | US | disclosed |
| EP-2170851-A1 | MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS | Gilead Sciences, Inc. (US) | 2010-04-07 | — | — | EP | disclosed |
| US-20090181902-A1 | Modulators of pharmacokinetic properties of therapeutics | GILEAD SCIENCES,INC. (US) | 2009-07-16 | — | — | US | disclosed |
| WO-2009008989-A1 | MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS | GILEAD SCIENCES, INC. (US) | 2009-01-15 | — | — | WO | disclosed |