⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6396391 | 0.95 | — | — | |
| SCHEMBL184670 | 0.95 | — | — | |
| Water SCHEMBL27634458 | 0.91 | — | — | |
| Ethylene SCHEMBL28216052 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL28335444 | 0.87 | ALDH1A1 (0.40) | — | |
| SCHEMBL28996629 | 0.86 | — | — | |
| SCHEMBL2062761 | 0.86 | — | — | |
| Methyl Alcohol SCHEMBL27850645 | 0.84 | — | — | |
| Piperazine SCHEMBL28097415 | 0.84 | CXCR4 (0.57) | — | |
| SCHEMBL3119545 | 0.82 | ALDH1A1 (0.43) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11041048-B2 | Polyhemiaminal and polyhexahydrotriazine materials from 1,4 conjugate addition reactions | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2021-06-22 | — | — | US | disclosed |
| US-20190177481-A1 | POLYHEMIAMINAL AND POLYHEXAHYDROTRIAZINE MATERIALS FROM 1,4 CONJUGATE ADDITION REACTIONS | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2019-06-13 | — | — | US | disclosed |
| US-10316143-B2 | Polyhemiaminal and polyhexahydrotriazine materials from 1,4 conjugate addition reactions | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2019-06-11 | — | — | US | disclosed |
| US-9637596-B2 | Polyhemiaminal and polyhexahydrotriazine materials from 1,4 conjugate addition reactions | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2017-05-02 | — | — | US | disclosed |
| US-20170002145-A1 | POLYHEMIAMINAL AND POLYHEXAHYDROTRIAZINE MATERIALS FROM 1,4 CONJUGATE ADDITION REACTIONS | INTERNATIONAL BUSINESS MACHINES | 2017-01-05 | — | — | US | disclosed |
| US-9458299-B1 | Polyhemiaminal and polyhexahydrotriazine materials from 1,4 conjugate addition reactions | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2016-10-04 | — | — | US | disclosed |
| US-20160264744-A1 | POLYHEMIAMINAL AND POLYHEXAHYDROTRIAZINE MATERIALS FROM 1,4 CONJUGATE ADDITION REACTIONS | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2016-09-15 | — | — | US | disclosed |
| US-20160264734-A1 | Polyhemiaminal And Polyhexahydrotriazine Materials From 1,4 Conjugate Addition Reactions | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2016-09-15 | — | — | US | disclosed |