⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL279705 | 0.79 | — | — | |
| SCHEMBL275260 | 0.77 | — | — | |
| SCHEMBL754514 | 0.77 | — | — | |
| SCHEMBL11277626 | 0.74 | — | — | |
| SCHEMBL9357016 | 0.74 | DAO (0.31) | — | |
| SCHEMBL12261897 | 0.74 | CHRNB2 (0.41) | — | |
| SCHEMBL7075554 | 0.73 | — | — | |
| SCHEMBL11064730 | 0.72 | ALDH1A1 (0.44) | — | |
| SCHEMBL2225985 | 0.72 | CHRNB2 (0.41) | — | |
| SCHEMBL1529732 | 0.72 | CHRNB2 (0.44) | — |
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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8703805-B2 | Modulators of LXR | EXELIXIS PATENT COMPANY LLC (US) | 2014-04-22 | — | — | US | disclosed |
| US-8703805-B2 | Modulators of LXR | EXELIXIS PATENT COMPANY LLC (US) | 2014-04-22 | — | — | US | disclosed |
| US-8703805-B2 | Modulators of LXR | EXELIXIS PATENT COMPANY LLC (US) | 2014-04-22 | — | — | US | disclosed |
| CN-101248048-B | Imidazole based LXR modulators | EXELIXIS INC | 2013-08-28 | — | — | CN | disclosed |
| US-20120190694-A1 | SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | ALLERGAN, INC. (US) | 2012-07-26 | — | — | US | disclosed |
| EP-2464629-A1 | SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | Allergan, Inc. (US) | 2012-06-20 | — | — | EP | disclosed |
| US-8168795-B2 | Selective sphingosine-1-phosphate receptor antagonists | ALLERGAN, INC. (US) | 2012-05-01 | — | — | US | disclosed |
| WO-2011159781-A2 | BITTER TASTE MODULATORS | SENOMYX, INC. (US) | 2011-12-22 | — | — | WO | disclosed |
| WO-2011028927-A1 | SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | ALLERGAN, INC. (US) | 2011-03-10 | — | — | WO | disclosed |
| US-20110039866-A1 | SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | ALLERGAN, INC. (US) | 2011-02-17 | — | — | US | disclosed |
| US-7265131-B2 | Isoquinolinone derivatives and their use as therapeutic agents | EXELIXIS, INC. (US) | 2007-09-04 | — | — | US | disclosed |
| WO-2007088148-A1 | DERIVATIVES OF THIOPHENE CARBOXILIC ACID AS ANTIVIRAL AGENT | SMITHKLINE BEECHAM CORPORATION (US) | 2007-08-09 | — | — | WO | disclosed |
| WO-2007071434-A1 | ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-06-28 | — | — | WO | disclosed |
| WO-2007039146-A1 | 4-CARBOXY PYRAZOLE DERIVATIVES AS ANTI-VIRAL AGENTS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-04-12 | — | — | WO | disclosed |
| WO-2007002559-A1 | PYRAZOLE BASED LXR MODULATORS | EXELIXIS, INC. (US) | 2007-01-04 | — | — | WO | disclosed |
| WO-2007002559-A1 | PYRAZOLE BASED LXR MODULATORS | EXELIXIS, INC. (US) | 2007-01-04 | — | — | WO | disclosed |
| EP-1572660-A1 | ISOQUINOLINONE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | X-Ceptor Therapeutics, Inc. (US) | 2005-09-14 | — | — | EP | disclosed |
| US-20040204447-A1 | Isoquinolinone derivatives and their use as therapeutic agents | X-CEPTOR THERAPEUTICS INC. | 2004-10-14 | — | — | US | disclosed |
| WO-2004058717-A1 | ISOQUINOLINONE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | X-CEPTOR THERAPEUTICS, INC. (US) | 2004-07-15 | — | — | WO | disclosed |
| US-4344943-A | ANALGESICS, ANTIINFLAMMATORY AGENTS | SYNTEX (U.S.A.) INC. (US) | 1982-08-17 | — | — | US | disclosed |