⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18558822 | 0.62 | — | — | |
| SCHEMBL12056879 | 0.59 | — | — | |
| Methane SCHEMBL21980779 | 0.35 | — | — | |
| SCHEMBL29570578 | 0.35 | — | — | |
| SCHEMBL10492481 | 0.25 | — | — | |
| SCHEMBL2479202 | 0.25 | — | — | |
| SCHEMBL3411159 | 0.25 | — | — | |
| SCHEMBL3507359 | 0.25 | — | — | |
| SCHEMBL333801 | 0.25 | — | — | |
| SCHEMBL7915870 | 0.25 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11008422-B2 | Impact resistant flame retardant polyhexahydrotriazine polymers via generation of polyhexahydrotriazine monomers and hexahydro-1,3,5-triazine small molecules | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2021-05-18 | — | — | US | disclosed |
| US-20200048417-A1 | PHOSPHAZENE-CONTAINING POLYHEXAHYDROTRIAZINE ELASTOMERS | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2020-02-13 | — | — | US | disclosed |
| US-10544264-B2 | Impact resistant flame retardant polyhexahydrotriazine polymers via generation of polyhexahydrotriazine monomers and hexahydro-1,3,5-triazine small molecules | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2020-01-28 | — | — | US | disclosed |
| US-20190048140-A1 | IMPACT RESISTANT FLAME RETARDANT POLYHEXAHYDROTRIAZINE POLYMERS VIA GENERATION OF POLYHEXAHYDROTRIAZINE MONOMERS AND HEXAHYDRO-1,3,5-TRIAZINE SMALL MOLECULES | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2019-02-14 | — | — | US | disclosed |
| EP-2566335-B1 | CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM MACROMOLECULAR CONJUGATES | PROLYNX LLC (US) | 2016-06-29 | — | — | EP | disclosed |
| US-8754190-B2 | Controlled release from macromolecular conjugates | PROLYNX LLC (US) | 2014-06-17 | — | — | US | disclosed |
| US-20130116407-A1 | CONTROLLED RELEASE FROM MACROMOLECULAR CONJUGATES | PROLYNX LLC | 2013-05-09 | — | — | US | disclosed |