⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4430883 | 0.83 | FDPS (0.39) | — | |
| SCHEMBL2749155 | 0.81 | MAPT (0.35) | — | |
| SCHEMBL4010562 | 0.73 | CA2 (0.35) | — | |
| SCHEMBL4011999 | 0.71 | CA2 (0.39) | — | |
| SCHEMBL9842 | 0.67 | — | — | |
| SCHEMBL2652564 | 0.65 | — | — | |
| SCHEMBL361322 | 0.64 | MEN1 (0.35) | — | |
| SCHEMBL1447558 | 0.62 | CHRNA7 (0.32) | — | |
| SCHEMBL3716933 | 0.60 | — | — | |
| SCHEMBL4711813 | 0.60 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1817287-A1 | AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS | Eli Lilly and Company (US) | 2007-08-15 | — | — | EP | claimed |
| WO-2006057845-A1 | AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS | ELI LILLY AND COMPANY (US) | 2006-06-01 | — | — | WO | claimed |
| WO-2007109098-A2 | HYDROXY AND KETO-SUBSTITUTED β-LACTAMYL ALKANEDIOIC ACIDS | AZEVAN PHARMACEUTICALS, INC. (US) | 2007-09-27 | — | — | WO | disclosed |
| WO-2007109615-A2 | β -LACTAMYL VASOPRESSIN V2 ANTAGONISTS | AZEVAN PHARMACEUTICALS, INC. (US) | 2007-09-27 | — | — | WO | disclosed |
| WO-2005035492-A1 | 3-SUBSTITUTED β-LACTAMYL VASOPRESSIN V1A ANTAGONISTS | SERENIX PHARMACEUTICALS, LLC. (US) | 2005-04-21 | — | — | WO | disclosed |
| EP-0173331-A2 | 2,3-Dihydro-1H-indene derivatives, a process for preparing them and pharmaceutical compositions containing same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1986-03-05 | — | — | EP | disclosed |