⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL230924 | 0.86 | — | — | |
| SCHEMBL1123598 | 0.85 | — | — | |
| SCHEMBL14118771 | 0.83 | — | — | |
| SCHEMBL6298717 | 0.83 | — | — | |
| SCHEMBL1123449 | 0.83 | — | — | |
| SCHEMBL7872197 | 0.82 | TSHR (0.32) | — | |
| SCHEMBL28570621 | 0.77 | — | — | |
| SCHEMBL9472178 | 0.77 | — | — | |
| SCHEMBL6434568 | 0.77 | — | — | |
| SCHEMBL192803 | 0.77 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107099012-B | Triazine type sulfur-containing resin and preparation method and application thereof | 大连理工大学 | 2019-12-27 | — | — | CN | disclosed |
| US-10464948-B2 | Polycyclic diiminooxadiazinones | COVESTRO DEUTSCHLAND AG (DE) | 2019-11-05 | — | — | US | disclosed |
| US-20180346482-A1 | POLYCYCLIC DIIMINOOXADIAZINONES | COVESTRO DEUTSCHLAND AG (DE) | 2018-12-06 | — | — | US | disclosed |
| EP-3409675-A1 | POLYCYCLIC DIIMINOOXADIAZINONES | Covestro Deutschland AG (DE) | 2018-12-05 | — | — | EP | disclosed |
| CN-104693394-B | Sulfur-containing resin and preparation method and application thereof | 大连理工大学 | 2018-01-30 | — | — | CN | disclosed |
| CN-107099012-A | Triazine type sulfur-containing resin and preparation method and application thereof | 大连理工大学 | 2017-08-29 | — | — | CN | disclosed |
| CN-102385254-B | Photosensitive resin composition | DAXIN MATERIALS CORP | 2013-03-06 | — | — | CN | disclosed |
| WO-2012152832-A1 | METHOD FOR PROCESSING A MATERIAL FLOW WHICH CONTAINS ISOCYANATE | BASF SE (DE) | 2012-11-15 | — | — | WO | disclosed |
| US-20120289746-A1 | PROCESS FOR WORKING UP AN ISOCYANATE-COMPRISING STREAM | BASF SE (DE) | 2012-11-15 | — | — | US | disclosed |
| CN-102385254-A | Photosensitive resin composition | DAXIN MATERIALS CORP | 2012-03-21 | — | — | CN | disclosed |
| EP-0271679-A2 | Isocyanates derived from dienes and process and their preparation | AMERICAN CYANAMID COMPANY (US) | 1988-06-22 | — | — | EP | disclosed |