⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4196242 | 0.79 | MAP3K14 (0.48) | — | |
| SCHEMBL654011 | 0.75 | MAOB (0.50) | — | |
| SCHEMBL17963690 | 0.74 | MAOB (0.34) | — | |
| SCHEMBL987683 | 0.72 | ALDH1A1 (0.49) | — | |
| SCHEMBL29412616 | 0.72 | ALDH1A1 (0.49) | — | |
| SCHEMBL2781075 | 0.71 | CES1 (0.35) | — | |
| SCHEMBL7830053 | 0.70 | MAPT (0.36) | — | |
| SCHEMBL29882374 | 0.68 | CES1 (0.46) | — | |
| SCHEMBL20561610 | 0.68 | ITGB2 (0.41) | — | |
| SCHEMBL14052836 | 0.67 | ADRA2A (0.33) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0778834-A1 | DIARYL BICYCLIC HETEROCYCLES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA INC. (CA) | 1997-06-18 | — | — | EP | claimed |
| US-5532328-A | Process for the preparation of a polymer | DSM N.V. (NL) | 1996-07-02 | — | — | US | claimed |
| WO-1996006840-A1 | DIARYL BICYCLIC HETEROCYCLES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA INC. (CA) | 1996-03-07 | — | — | WO | claimed |
| EP-0633903-A1 | PROCESS FOR THE PREPARATION OF A POLYMER FROM A HETEROCYCLIC MONOMER | DSM N.V. (NL) | 1995-01-18 | — | — | EP | claimed |
| WO-1994017120-A1 | PROCESS FOR THE PREPARATION OF A POLYMER FROM A HETEROCYCLIC MONOMER | DSM N.V. (NL) | 1994-08-04 | — | — | WO | claimed |
| US-8455535-B2 | Heteroaryl dihydroindolones as kinase inhibitors | ALLERGAN, INC. (US) | 2013-06-04 | — | — | US | disclosed |
| US-20110257238-A1 | Heteroaryl Dihydroindolones as Kinase Inhibitors | ALLERGAN, INC. (US) | 2011-10-20 | — | — | US | disclosed |
| US-7977351-B2 | Heteroaryl dihydroindolones as kinase inhibitors | ALLERGAN, INC. (US) | 2011-07-12 | — | — | US | disclosed |
| US-20080045526-A1 | HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS | ALLERGAN, INC. | 2008-02-21 | — | — | US | disclosed |
| US-5532328-A | Process for the preparation of a polymer | DSM N.V. (NL) | 1996-07-02 | — | — | US | disclosed |