⚠ 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 SCHEMBL28035784 | 0.91 | — | — | |
| SCHEMBL103423 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL28289518 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL28324783 | 0.87 | — | — | |
| SCHEMBL27425670 | 0.87 | — | — | |
| Acetonitrile SCHEMBL28248682 | 0.84 | — | — | |
| SCHEMBL28169064 | 0.79 | — | — | |
| SCHEMBL28168642 | 0.76 | — | — | |
| SCHEMBL247601 | 0.71 | — | — | |
| SCHEMBL11863317 | 0.71 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105646565-B | Synthesis of nitrile-group-containing siloxane and preparation method of room-temperature condensed type nitrile silicone rubber | 山东大学 | 2019-01-29 | — | — | CN | disclosed |
| CN-105778105-B | A kind of synthesis of the siloxanes of while nitrile group-containing and vinyl and the preparation method of room temperature add-on type nitrile silicone rubber | 山东大学 | 2018-11-20 | — | — | CN | disclosed |
| CN-108707232-A | A kind of preparation method of room temperature condensed type nitrile silicone rubber | 山东大学 | 2018-10-26 | — | — | CN | disclosed |
| CN-105601845-B | A kind of synthesis of high molecular weight nitrile group-containing polysiloxanes and the preparation method of peroxide type heat cure nitrile silicone rubber | 山东大学 | 2018-09-21 | — | — | CN | disclosed |
| CN-105622943-B | A kind of synthesis of the high molecular weight silicone of while nitrile group-containing and vinyl and the preparation method of additional hot vulcanized nitrile silicone rubber | 山东大学 | 2018-06-05 | — | — | CN | disclosed |
| CN-105778105-A | Synthesis of siloxane containing nitrile group and vinyl group at same time and preparation method of room-temperature addition type nitrile silicone rubber | 山东大学 | 2016-07-20 | — | — | CN | disclosed |
| CN-105646565-A | Synthesis of nitrile-group-containing siloxane and preparation method of room-temperature condensed type nitrile silicone rubber | 山东大学 | 2016-06-08 | — | — | CN | disclosed |
| CN-105622943-A | Synthesis method of high molecular weight polysiloxane containing nitrile group and vinyl at the same time and preparation method of addition type heat vulcanized nitrile silicone rubber | UNIV SHANDONG | 2016-06-01 | — | — | CN | disclosed |
| CN-105601845-A | Synthesis of high molecular weight nitrile-group-containing polysiloxane and preparation method of peroxide type hot vulcanization nitrile silicone rubber | UNIV SHANDONG | 2016-05-25 | — | — | CN | disclosed |