⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5776026 | 0.81 | POLB (0.38) | — | |
| SCHEMBL16004957 | 0.81 | ALOX15 (0.31) | — | |
| SCHEMBL12320519 | 0.75 | CYP2D6 (0.35) | — | |
| SCHEMBL6604093 | 0.75 | CA12 (0.42) | — | |
| SCHEMBL8492110 | 0.75 | KMT2A (0.43) | — | |
| SCHEMBL2645981 | 0.75 | ALOX15 (0.42) | — | |
| SCHEMBL3465193 | 0.74 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL12320835 | 0.74 | CYP2D6 (0.34) | — | |
| SCHEMBL2125230 | 0.73 | MAPT (0.41) | — | |
| SCHEMBL24769695 | 0.72 | NQO2 (0.42) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107693505-B | Oil-water double-soluble ROS sensitive nanoparticle and preparation method thereof | 上海长海医院 | 2020-11-27 | — | — | CN | disclosed |
| US-20050258398-A1 | Dithia-s-indacene derivative | TAKASAGO INTERNATIONAL CORPORATION | 2005-11-24 | — | — | US | disclosed |
| EP-1027398-B1 | LIGHT-EMITTING DENDRIMERS AND DEVICES | ISIS INNOVATION (GB) | 2004-06-09 | — | — | EP | disclosed |
| US-6720093-B2 | DEVICE INCORPORATING AS, OR IN, ITS LIGHT-EMITTING ELEMENT LUMINESCENT COMPOUND INCLUDING CONJUGATED DENDRITIC MOLECULAR STRUCTURE COMPRISING GROUPS SELECTED FROM ARYL AND HETEROARYL GROUPS AND ALKENYL GROUPS CONNECTED TO EACH OTHER | CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) | 2004-04-13 | — | — | US | disclosed |
| US-20030165716-A1 | Dendrimers according to present invention which can be used for incorporation into light emitting devices have core and/or branches comprising electroluminescent or charge-transporting chromophores (conjugated units) | CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) | 2003-09-04 | — | — | US | disclosed |
| US-6558818-B1 | Light-emitting dendrimers and devices | ISIS INNOVATION LTD. (GB) | 2003-05-06 | — | — | US | disclosed |