⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7766488 | 0.79 | HTT (0.35) | — | |
| SCHEMBL27608922 | 0.76 | NPC1 (0.33) | — | |
| SCHEMBL27608930 | 0.76 | NPC1 (0.32) | — | |
| SCHEMBL28068610 | 0.74 | GSK3B (0.30) | — | |
| SCHEMBL27590506 | 0.74 | NPC1 (0.32) | — | |
| SCHEMBL27590523 | 0.74 | BCHE (0.30) | — | |
| SCHEMBL28756718 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL27630016 | 0.71 | DRD2 (0.31) | — | |
| SCHEMBL27629689 | 0.70 | MTNR1A (0.32) | — | |
| SCHEMBL27606465 | 0.69 | P2RX4 (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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102497776-B | Inorganic carrier materials containing nitrogen | LANXESS DEUTSCHLAND GMBH | 2015-02-11 | — | — | CN | claimed |
| CN-104023529-A | STABILIZATION OF COMPOUNDS CONTAINING IODINE HAVING POLYMERS COMPRISING NITROGEN | LANXESS DEUTSCHLAND GMBH | 2014-09-03 | — | — | CN | claimed |
| CN-101378829-B | IPBC-containing coacervates | LANXESS DEUTSCHLAND GMBH | 2013-03-27 | — | — | CN | claimed |
| CN-102497776-A | Inorganic carrier materials containing nitrogen | LANXESS DEUTSCHLAND GMBH | 2012-06-13 | — | — | CN | claimed |
| CN-102471526-A | Polymers comprising heterocyclic 3-membered ring compounds and iodine-containing compounds | LANXESS DEUTSCHLAND GMBH | 2012-05-23 | — | — | CN | claimed |
| CN-102458106-A | Inorganic support material containing heterocyclic 3-membered ring compounds | LANXESS DEUTSCHLAND GMBH | 2012-05-16 | — | — | CN | claimed |
| CN-101378829-A | IPBC-containing coacervates | LANXESS DEUTSCHLAND GMBH (DE) | 2009-03-04 | — | — | CN | claimed |
| CN-102378577-B | Stabilization of iodine-containing compounds | LANXESS DEUTSCHLAND GMBH (DE) | 2015-10-07 | — | — | CN | disclosed |
| CN-102497776-B | Inorganic carrier materials containing nitrogen | LANXESS DEUTSCHLAND GMBH | 2015-02-11 | — | — | CN | disclosed |
| CN-104220505-A | Fungicide formulations for plasticized pvc | LANXESS DEUTSCHLAND GMBH | 2014-12-17 | — | — | CN | disclosed |
| CN-104204057-A | Stable compositions of thiabendazole and iodine-containing fungicides | LANXESS DEUTSCHLAND GMBH | 2014-12-10 | — | — | CN | disclosed |
| CN-104023529-A | STABILIZATION OF COMPOUNDS CONTAINING IODINE HAVING POLYMERS COMPRISING NITROGEN | LANXESS DEUTSCHLAND GMBH | 2014-09-03 | — | — | CN | disclosed |
| CN-101378829-B | IPBC-containing coacervates | LANXESS DEUTSCHLAND GMBH | 2013-03-27 | — | — | CN | disclosed |
| CN-102497776-A | Inorganic carrier materials containing nitrogen | LANXESS DEUTSCHLAND GMBH | 2012-06-13 | — | — | CN | disclosed |
| CN-102471526-A | Polymers comprising heterocyclic 3-membered ring compounds and iodine-containing compounds | LANXESS DEUTSCHLAND GMBH | 2012-05-23 | — | — | CN | disclosed |
| CN-102458106-A | Inorganic support material containing heterocyclic 3-membered ring compounds | LANXESS DEUTSCHLAND GMBH | 2012-05-16 | — | — | CN | disclosed |
| CN-101378829-A | IPBC-containing coacervates | LANXESS DEUTSCHLAND GMBH (DE) | 2009-03-04 | — | — | CN | disclosed |