⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1064453 | 0.94 | — | — | |
| SCHEMBL6301984 | 0.92 | CYP1A2 (0.42) | — | |
| SCHEMBL10447403 | 0.92 | CYP1A2 (0.42) | — | |
| SCHEMBL60078 | 0.92 | CYP1A2 (0.42) | — | |
| SCHEMBL10447402 | 0.92 | CYP1A2 (0.42) | — | |
| SCHEMBL15448394 | 0.90 | SLC6A2 (0.31) | — | |
| SCHEMBL14554019 | 0.90 | SLC6A2 (0.31) | — | |
| SCHEMBL12695097 | 0.88 | CYP2D6 (0.34) | — | |
| SCHEMBL131689 | 0.88 | — | — | |
| SCHEMBL14486633 | 0.88 | CYP2D6 (0.34) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230242491-A1 | DIMERS FROM BIOREACHABLE MOLECULES AS COPOLYMERS | ZYMERGEN INC. (US) | 2023-08-03 | — | — | US | disclosed |
| US-20170196862-A2 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-07-13 | — | — | US | disclosed |
| WO-2015097237-A1 | BENZOXABOROLE FUNGICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2015-07-02 | — | — | WO | disclosed |
| US-8940722-B2 | Compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (RORγ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune disease | PHENEX PHARMACEUTICALS AG (DE) | 2015-01-27 | — | — | US | disclosed |
| US-20140051575-A1 | FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-02-20 | — | — | US | disclosed |
| US-8461328-B2 | Tricyclic heterocyclic compounds, compositions and methods of use thereof | GENENTECH, INC. (US) | 2013-06-11 | — | — | US | disclosed |
| US-8450319-B2 | Pyrrolopyridazinone compound | UBE INDUSTRIES, LTD. (JP) | 2013-05-28 | — | — | US | disclosed |
| US-20130116287-A1 | FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-05-09 | — | — | US | disclosed |
| EP-1982986-B1 | PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR | UBE INDUSTRIES (JP) | 2012-03-07 | — | — | EP | disclosed |
| US-20110201593-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2011-08-18 | — | — | US | disclosed |
| EP-2088150-A1 | Fused pyrrolocarbazoles and methods for the preparation thereof | Cephalon, Inc. (US) | 2009-08-12 | — | — | EP | disclosed |
| US-20090036453-A1 | Pyrrolopyridazinone Compound | UBE INDUSTRIES, LTD. (JP) | 2009-02-05 | — | — | US | disclosed |
| EP-1982986-A1 | PYRROLOPYRIDAZINONE COMPOUND | Ube Industries, Ltd. (JP) | 2008-10-22 | — | — | EP | disclosed |
| WO-2005063764-A2 | FUSED PYRROLOCARBAZOLES AND METHODS FOR THE PREPARATION THEREOF | CEPHALON, INC. (US) | 2005-07-14 | — | — | WO | disclosed |