⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9734070 | 0.93 | — | — | |
| SCHEMBL9735787 | 0.91 | ALDH1A1 (0.32) | — | |
| SCHEMBL4719421 | 0.90 | — | — | |
| SCHEMBL4358415 | 0.84 | — | — | |
| SCHEMBL9111281 | 0.82 | ALDH1A1 (0.31) | — | |
| SCHEMBL10458962 | 0.80 | ALDH1A1 (0.34) | — | |
| SCHEMBL27936185 | 0.80 | ALDH1A1 (0.34) | — | |
| SCHEMBL18282347 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL8895312 | 0.77 | PRKD3 (0.31) | — | |
| SCHEMBL4396289 | 0.75 | SIGMAR1 (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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4216713-B2 | — | — | 2009-01-28 | — | — | JP | claimed |
| EP-1404324-A4 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | XENOPORT INC (US) | 2004-12-22 | — | — | EP | claimed |
| JP-2004536873-A | — | — | 2004-12-09 | — | — | JP | claimed |
| WO-2004052360-A1 | PRODRUGS OF FUSED GABA ANALOGS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | XENOPORT, INC. (US) | 2004-06-24 | — | — | WO | claimed |
| EP-1404324-A2 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | Xenoport, Inc. (US) | 2004-04-07 | — | — | EP | claimed |
| WO-2002100347-A2 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | XENOPORT, INC. (US) | 2002-12-19 | — | — | WO | claimed |
| EP-2719688-B1 | Process for producing tetrazolyloxime derivatives | NIPPON SODA CO (JP) | 2016-07-20 | — | — | EP | disclosed |
| EP-2719686-B1 | Process to halogenate a picoline derivative | NIPPON SODA CO (JP) | 2015-12-02 | — | — | EP | disclosed |
| EP-2719687-B1 | Process to make a bromopicoline derivative | NIPPON SODA CO (JP) | 2015-09-16 | — | — | EP | disclosed |
| US-9018385-B2 | Compound containing pyridine ring and method for producing halogenated picoline derivative and tetrazolyloxime derivative | NIPPON SODA CO., LTD. (JP) | 2015-04-28 | — | — | US | disclosed |
| US-9012653-B2 | Compound containing pyridine ring and method for producing halogenated picoline derivative and tetrazolyloxime derivative | NIPPON SODA CO., LTD. (JP) | 2015-04-21 | — | — | US | disclosed |
| US-9000178-B2 | Compound containing pyridine ring and method for producing halogenated picoline derivative and tetrazolyloxime derivative | NIPPON SODA CO., LTD. (JP) | 2015-04-07 | — | — | US | disclosed |
| US-8962848-B2 | Compound containing pyridine ring and method for producing halogenated picoline derivative and tetrazolyloxime derivative | NIPPON SODA CO., LTD. (JP) | 2015-02-24 | — | — | US | disclosed |
| WO-2004052844-A1 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | XENOPORT, INC. (US) | 2004-06-24 | — | — | WO | disclosed |
| EP-1404310-A1 | ORALLY ADMINISTERED DOSAGE FORMS OF GABA ANALOG PRODRUGS HAVING REDUCED TOXICITY | Xenoport, Inc. (US) | 2004-04-07 | — | — | EP | disclosed |
| EP-1404324-A2 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | Xenoport, Inc. (US) | 2004-04-07 | — | — | EP | disclosed |
| WO-2002100347-A2 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | XENOPORT, INC. (US) | 2002-12-19 | — | — | WO | disclosed |
| WO-2002100392-A1 | ORALLY ADMINISTERED DOSAGE FORMS OF GABA ANALOG PRODRUGS HAVING REDUCED TOXICITY | XENOPORT, INC. (US) | 2002-12-19 | — | — | WO | disclosed |
| US-5130356-A | Addition of small amounts of diphenoquinone or diphenohydroquinone derivatives; compact disc substrates | BASF AKTIENGESELLSCHAFT (DE) | 1992-07-14 | — | — | US | disclosed |
| EP-0385109-A2 | Shaped article for optical uses | BASF Aktiengesellschaft (DE) | 1990-09-05 | — | — | EP | disclosed |