⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL29258024 | 0.97 | — | — | |
| SCHEMBL34607 | 0.97 | ALDH1A1 (0.32) | — | |
| Bromide SCHEMBL584440 | 0.94 | ALDH1A1 (0.31) | — | |
| Water SCHEMBL29258026 | 0.94 | ALDH1A1 (0.31) | — | |
| Iodide SCHEMBL5143897 | 0.94 | ALDH1A1 (0.31) | — | |
| Bromide SCHEMBL25396186 | 0.94 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL819060 | 0.94 | ALDH1A1 (0.31) | — | |
| Bromide SCHEMBL584276 | 0.94 | ALDH1A1 (0.31) | — | |
| Bromide SCHEMBL6882180 | 0.92 | ALDH1A1 (0.30) | — | |
| SCHEMBL15984646 | 0.80 | ALDH1A1 (0.31) | — |
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-10588222-B2 | Coating metal foil with n-heterocyclic carbene compounds containing organic functionalities for improving metal-to-resin adhesion | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2020-03-10 | — | — | US | disclosed |
| US-20200053886-A1 | COATING METAL FOIL WITH N-HETEROCYCLIC CARBENE COMPOUNDS CONTAINING ORGANIC FUNCTIONALITIES FOR IMPROVING METAL-TO-RESIN ADHESION | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2020-02-13 | — | — | US | disclosed |
| US-10506723-B2 | Enhanced substrate includes a carbene-coated metal foil laminated to a substrate that includes glass fiber impregnated with a base polymer | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2019-12-10 | — | — | US | disclosed |
| US-20180168051-A1 | COATING METAL FOIL WITH N-HETEROCYCLIC CARBENE COMPOUNDS CONTAINING ORGANIC FUNCTIONALITIES FOR IMPROVING METAL-TO-RESIN ADHESION | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2018-06-14 | — | — | US | disclosed |
| US-9974193-B2 | Coating metal foil with N-heterocyclic carbene compounds containing organic functionalities for improving metal-to-resin adhesion | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2018-05-15 | — | — | US | disclosed |
| US-20160157362-A1 | COATING METAL FOIL WITH N-HETEROCYCLIC CARBENE COMPOUNDS CONTAINING ORGANIC FUNCTIONALITIES FOR IMPROVING METAL-TO-RESIN ADHESION | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2016-06-02 | — | — | US | disclosed |
| US-20160157361-A1 | COATING METAL FOIL WITH N-HETEROCYCLIC CARBENE COMPOUNDS CONTAINING ORGANIC FUNCTIONALITIES FOR IMPROVING METAL-TO-RESIN ADHESION | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2016-06-02 | — | — | US | disclosed |
| US-20090069569-A1 | CYCLOADDITION OF AZIDES AND ALKYNES | INSTITUT CATALA D'INVESTIGACIO QUIMICA (ES) | 2009-03-12 | — | — | US | disclosed |