⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14327682 | 0.84 | TRPA1 (0.31) | — | |
| SCHEMBL13652629 | 0.70 | — | — | |
| SCHEMBL14194945 | 0.70 | — | — | |
| SCHEMBL765504 | 0.70 | — | — | |
| SCHEMBL13451268 | 0.70 | — | — | |
| SCHEMBL5437291 | 0.70 | — | — | |
| SCHEMBL16976631 | 0.70 | — | — | |
| SCHEMBL18808290 | 0.66 | — | — | |
| SCHEMBL16704709 | 0.66 | DRD1 (0.34) | — | |
| SCHEMBL21829068 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012128582-A2 | A COMPOUND FOR INHIBITING HUMAN 11-β-HYDROXY STEROID DEHYDROGENASE TYPE 1, AND A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | HYUNDAI PHARM CO., LTD. (KR) | 2012-09-27 | — | — | WO | disclosed |
| US-7671087-B2 | Amines that inhibit a mammalian anandamide transporter, and methods of use thereof | SEPRACOR INC. (US) | 2010-03-02 | — | — | US | disclosed |
| US-20090163593-A1 | AMINES THAT INHIBIT A MAMMALIAN ANANDAMIDE TRANSPORTER, AND METHODS OF USE THEREOF | AQUILA BRIAN M | 2009-06-25 | — | — | US | disclosed |
| US-7202366-B2 | Heterocyclic analogs of diphenylethylene compounds | THERACOS, INC. (US) | 2007-04-10 | — | — | US | disclosed |
| WO-2006134613-A2 | NOVEL 5-SUBSTITUTED INDOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV (DPP-IV) INHIBITORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2006-12-21 | — | — | WO | disclosed |