⚠ 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 | |
|---|---|---|---|---|
| Tetrachlorothiophene SCHEMBL433499 | 0.49 | — | — | |
| SCHEMBL3620424 | 0.47 | — | — | |
| SCHEMBL8849001 | 0.45 | — | — | |
| SCHEMBL21938836 | 0.45 | — | — | |
| Calcium Chloride SCHEMBL5381230 | 0.39 | — | — | |
| Calcium Chloride SCHEMBL23803973 | 0.35 | — | — | |
| Calcium Chloride SCHEMBL21751993 | 0.35 | — | — | |
| Calcium Chloride SCHEMBL20577233 | 0.35 | — | — | |
| Calcium Chloride SCHEMBL25175017 | 0.35 | — | — | |
| Calcium Chloride SCHEMBL22532692 | 0.35 | — | — |
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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009077497-A2 | AZOLYL METHYL OXIRANES, THE USE THEREOF, AND AGENTS CONTAINING THEM | BASF SE (DE) | 2009-06-25 | — | — | WO | claimed |
| US-8642642-B2 | Heterocyclic arylsulphones suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor | ABBOTT LABORATORIES (US) | 2014-02-04 | — | — | US | disclosed |
| US-8497273-B2 | Heterocyclic compounds suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor | ABBOTT GMBH & CO. KG (DE) | 2013-07-30 | — | — | US | disclosed |
| US-8236788-B2 | Azolylmethyloxiranes, use thereof for controlling plant pathogenic fungi, and agents containing the same | BASF SE (DE) | 2012-08-07 | — | — | US | disclosed |
| US-20120015981-A1 | Active compound combinations | BAYER CORPSCIENCE AG (DE) | 2012-01-19 | — | — | US | disclosed |
| EP-2391213-A1 | ACTIVE COMPOUND COMBINATIONS | Bayer CropScience AG (DE) | 2011-12-07 | — | — | EP | disclosed |
| EP-2391214-A1 | ACTIVE COMPOUND COMBINATIONS | Bayer CropScience AG (DE) | 2011-12-07 | — | — | EP | disclosed |
| US-20110294855-A1 | Active Compound Combinations | BAYER CROPSCIENCE AG (DE) | 2011-12-01 | — | — | US | disclosed |
| EP-2046784-B1 | AZOLYLMETHYLOXIRANES, USE THEREOF FOR CONTROLLING PLANT PATHOGENIC FUNGI, AND AGENTS CONTAINING THE SAME | BASF SE (DE) | 2011-09-14 | — | — | EP | disclosed |
| US-20110201496-A1 | Substituted 5-Hetaryl-4-Aminopyrimidines | BASF AKTIENGESELLSCHAFT (DE) | 2011-08-18 | — | — | US | disclosed |
| US-20060069089-A1 | Fungicides | SYNGENTA CROP PROTECTION, INC. | 2006-03-30 | — | — | US | disclosed |
| EP-1585746-A2 | NAPHTHYRIDINE DERIVATIVES AND THEIR USE AS FUNGICIDES | Syngenta Limited (GB) | 2005-10-19 | — | — | EP | disclosed |
| EP-1575956-A1 | FUNGICIDES BASED ON NITROGEN-CONTAINING HETEROCYCLES | Syngenta Limited (GB) | 2005-09-21 | — | — | EP | disclosed |
| EP-1575948-A1 | PYRIDODIAZINES AS PLANT FUNGICIDES | Syngenta Limited (GB) | 2005-09-21 | — | — | EP | disclosed |
| EP-1575949-A1 | FUNGICIDES | Syngenta Limited (GB) | 2005-09-21 | — | — | EP | disclosed |
| WO-2005080396-A2 | AZOLOPYRIMIDINE COMPOUNDS AND USE THEREOF FOR COMBATING PARASITIC FUNGI | BASF AKTIENGESELLSCHAFT (DE) | 2005-09-01 | — | — | WO | disclosed |
| WO-2004056829-A1 | FUNGICIDES BASED ON NITROGEN-CONTAINING HETEROCYCLES | SYNGENTA LIMITED (GB) | 2004-07-08 | — | — | WO | disclosed |
| WO-2004056824-A2 | NAPHTHYRIDINE DERIVATIVES AND THEIR USE AS FUNGICIDES | SYNGENTA LIMITED (GB) | 2004-07-08 | — | — | WO | disclosed |
| WO-2004056826-A1 | FUNGICIDES | SYNGENTA LIMITED (GB) | 2004-07-08 | — | — | WO | disclosed |
| WO-2004056825-A1 | PYRIDODIAZINES AS PLANT FUNGICIDES | SYNGENTA LIMITED (GB) | 2004-07-08 | — | — | WO | disclosed |