⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28228578 | 0.86 | PKM (0.30) | — | |
| SCHEMBL2419343 | 0.82 | CYP2C19 (0.32) | — | |
| SCHEMBL873448 | 0.82 | CYP2C19 (0.32) | — | |
| SCHEMBL11741871 | 0.81 | CYP2C19 (0.31) | — | |
| SCHEMBL11741880 | 0.81 | CYP2C19 (0.31) | — | |
| SCHEMBL11741874 | 0.81 | CYP2C19 (0.31) | — | |
| SCHEMBL15070912 | 0.77 | SLC22A1 (0.37) | — | |
| SCHEMBL1768062 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL27793068 | 0.72 | — | — | |
| SCHEMBL11262687 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130059850-A1 | AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH | MERCK SHARP & DOHME CORP. (US) | 2013-03-07 | — | — | US | claimed |
| JP-1279860-A | — | — | None | — | — | JP | disclosed |
| EP-2606033-A1 | SUBSTITUTED CYCLIC CARBOXAMIDE AND UREA DERIVATIVES AS LIGANDS OF THE VANILLOID RECEPTOR | Grünenthal GmbH (DE) | 2013-06-26 | — | — | EP | disclosed |
| WO-2012022487-A1 | SUBSTITUTED CYCLIC CARBOXAMIDE AND UREA DERIVATIVES AS LIGANDS OF THE VANILLOID RECEPTOR | Grünenthal GmbH (DE) | 2012-02-23 | — | — | WO | disclosed |
| JP-H01279860-A | AMIDE COMPOUND | SUMITOMO CHEM CO LTD | 1989-11-10 | — | — | JP | disclosed |