⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL407240 | 0.67 | — | — | |
| Isobutane SCHEMBL8949769 | 0.67 | TP53 (0.50) | — | |
| SCHEMBL28612 | 0.67 | — | — | |
| SCHEMBL11160673 | 0.67 | — | — | |
| SCHEMBL873801 | 0.67 | — | — | |
| SCHEMBL463646 | 0.67 | — | — | |
| Isobutane SCHEMBL6032157 | 0.67 | TP53 (0.50) | — | |
| SCHEMBL385620 | 0.64 | — | — | |
| SCHEMBL10841215 | 0.64 | — | — | |
| SCHEMBL442109 | 0.64 | — | — |
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 419 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114175293-A | Bispyrans, dithiodipyrans and diseleno-dipyrans and use thereof | 塞勒锐科有限公司 | 2022-03-11 | — | — | CN | claimed |
| US-8673909-B2 | Indole compounds and methods for treating visceral pain | NEURAXON, INC. (CA) | 2014-03-18 | — | — | US | claimed |
| US-20140051687-A1 | SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY | NEURAXON, INC. (CA) | 2014-02-20 | — | — | US | claimed |
| US-8586620-B2 | Substituted indole compounds having NOS inhibitory activity | NEURAXON, INC. (CA) | 2013-11-19 | — | — | US | claimed |
| US-20110212947-A1 | SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY | NEURAXON INC. (CA) | 2011-09-01 | — | — | US | claimed |
| US-7951940-B2 | neuronal nitric oxide synthase (nNOS) isoform inhibitors; 2-ethyl-1-(1H-indol-5-yl)-isothiourea; neurogenerative disorders, stroke, reperfusion injury, head trauma, migraine headache, neuropathic pain, drug abuse, hyperalgesia | NEURAXON, INC. (CA) | 2011-05-31 | — | — | US | claimed |
| US-7919510-B2 | treatment or prevention of chronic pain, acute pain, migraine, and neuropathic pain; selectively inhibits neuronal nitric oxide synthase (nNOS) over endothelial nitric oxide synthase (eNOS) and/or inducible nitric oxide synthase (iNOS) | NEURAXON, INC (CA) | 2011-04-05 | — | — | US | claimed |
| EP-1883451-B9 | SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY | NEURAXON INC (CA) | 2011-02-09 | — | — | EP | claimed |
| EP-1883451-B1 | SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY | NEURAXON INC (CA) | 2010-11-24 | — | — | EP | claimed |
| EP-2220074-A1 | 3,5-SUBSTITUTED INDOLE COMPOUNDS HAVING NOS AND NOREPINEPHRINE REUPTAKE INHIBITORY ACTIVITY | Neuraxon, INC. (CA) | 2010-08-25 | — | — | EP | claimed |
| US-20090131503-A1 | 3,5 - SUBSTITUTED INDOLE COMPOUNDS HAVING NOS AND NOREPINEPHRINE REUPTAKE INHIBITORY ACTIVITY | NEURAXON, INC (CA) | 2009-05-21 | — | — | US | claimed |
| US-20080249302-A1 | SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY | NEURAXON INC. (CA) | 2008-10-09 | — | — | US | claimed |
| US-20080214613-A1 | Substituted benzimidazole compounds with dual NOS inhibitory activity and mu opioid agonist activity | NEURAXON, INC (CA) | 2008-09-04 | — | — | US | claimed |
| EP-1888568-A2 | SUBSTITUTED BENZIMIDAZOLE COMPOUNDS WITH DUAL NOS INHIBITORY ACTIVITY AND MUOPIOID AGONIST ACTIVITY | Neuraxon Inc. (CA) | 2008-02-20 | — | — | EP | claimed |
| EP-1883451-A2 | SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY | Neuraxon Inc. (CA) | 2008-02-06 | — | — | EP | claimed |
| WO-2007063418-A2 | SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY | NEURAXON, INC. (CA) | 2007-06-07 | — | — | WO | claimed |
| WO-2007017764-A2 | SUBSTITUTED BENZIMIDAZOLE COMPOUNDS WITH DUAL NOS INHIBITORY ACTIVITY AND MUOPIOID AGONIST ACTIVITY | NEURAXON, INC. (CA) | 2007-02-15 | — | — | WO | claimed |
| US-5312913-A | Complexes of electron donors and electron acceptors | IDEMITSU KOSAN CO., LTD. (JP) | 1994-05-17 | — | — | US | claimed |
| US-5175280-A | Electroconductive complexes; heat resistance | IDEMITSU KOSAN CO., LTD. (JP) | 1992-12-29 | — | — | US | claimed |
| EP-0454874-A1 | THIA- AND/OR SELENAFULVALENYL COMPOUND | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1991-11-06 | — | — | EP | claimed |