⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4199833 | 0.90 | — | — | |
| SCHEMBL4195207 | 0.88 | — | — | |
| SCHEMBL3080293 | 0.65 | NOS3 (0.47) | — | |
| SCHEMBL64855 | 0.60 | — | — | |
| SCHEMBL3610988 | 0.60 | — | — | |
| SCHEMBL25466548 | 0.60 | — | — | |
| SCHEMBL1671188 | 0.60 | — | — | |
| SCHEMBL12786317 | 0.60 | — | — | |
| SCHEMBL12438888 | 0.58 | NOS3 (0.41) | — | |
| Iodide SCHEMBL16040312 | 0.58 | — | — |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090203745-A1 | HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | JERINI AG (DE) | 2009-08-13 | — | — | US | claimed |
| US-20090104116-A1 | COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | JERINI AG (DE) | 2009-04-23 | — | — | US | claimed |
| EP-2024357-A2 | NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | Jereni AG (DE) | 2009-02-18 | — | — | EP | claimed |
| EP-1979342-A1 | COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | Jerini AG (DE) | 2008-10-15 | — | — | EP | claimed |
| WO-2007131764-A2 | NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | JERINI AG (DE) | 2007-11-22 | — | — | WO | claimed |
| WO-2007088041-A1 | COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | JERINI AG (DE) | 2007-08-09 | — | — | WO | claimed |
| US-7244738-B2 | Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists | ROCHE PALO ALTO LLC (US) | 2007-07-17 | — | — | US | claimed |
| US-20050038016-A1 | Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists | ROCHE PALO ALTO LLC | 2005-02-17 | — | — | US | claimed |
| EP-0635508-B1 | TETRAHYDROPYRIDINE DERIVATIVE HAVING SUBSTITUENTS ON THREE RINGS | ASAHI CHEMICAL IND (JP) | 1999-10-06 | — | — | EP | claimed |
| EP-0635508-A1 | TETRAHYDROPYRIDINE DERIVATIVE HAVING SUBSTITUENTS ON THREE RINGS | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1995-01-25 | — | — | EP | claimed |
| US-8927534-B2 | Compounds for the inhibition of integrins and use thereof | SHIRE ORPHAN THERAPIES GMBH (DE) | 2015-01-06 | — | — | US | disclosed |
| US-8309735-B2 | Heterocyclic compounds for the inhibition of integrins and use thereof | SHIRE ORPHAN THERAPIES GMBH (DE) | 2012-11-13 | — | — | US | disclosed |
| US-20090203745-A1 | HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | JERINI AG (DE) | 2009-08-13 | — | — | US | disclosed |
| US-20090104116-A1 | COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | JERINI AG (DE) | 2009-04-23 | — | — | US | disclosed |
| EP-2024357-A2 | NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | Jereni AG (DE) | 2009-02-18 | — | — | EP | disclosed |
| US-20050038016-A1 | Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists | ROCHE PALO ALTO LLC | 2005-02-17 | — | — | US | disclosed |
| WO-2005005395-A2 | ARYLAMINE-SUBSTITUTED QUINAZOLINONE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-01-20 | — | — | WO | disclosed |
| EP-0635508-B1 | TETRAHYDROPYRIDINE DERIVATIVE HAVING SUBSTITUENTS ON THREE RINGS | ASAHI CHEMICAL IND (JP) | 1999-10-06 | — | — | EP | disclosed |
| US-5621103-A | 3-(SUBSTITUTED METHYLAMINOCARBONYL)-1,2,3,4-TETRAHYDRO-(1)BENZOTHIENO(2,3-C) PYRIDINES; ANXIOLYTIC AGENTS; LEARNING ENHANCEMENT | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1997-04-15 | — | — | US | disclosed |
| EP-0635508-A1 | TETRAHYDROPYRIDINE DERIVATIVE HAVING SUBSTITUENTS ON THREE RINGS | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1995-01-25 | — | — | EP | disclosed |