⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL47598 | 1.00 | — | — | |
| SCHEMBL768192 | 0.97 | — | — | |
| SCHEMBL1702921 | 0.97 | — | — | |
| SCHEMBL11925336 | 0.96 | — | — | |
| SCHEMBL13110607 | 0.96 | — | — | |
| SCHEMBL12090678 | 0.96 | — | — | |
| SCHEMBL41363 | 0.84 | — | — | |
| SCHEMBL23459 | 0.84 | — | — | |
| SCHEMBL15678739 | 0.84 | — | — | |
| SCHEMBL2490627 | 0.84 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9475969-B2 | Organopolysiloxane compound having ethynyl groups, method for preparing linear organopolysiloxane compound having ethynyl groups at both terminals of molecular chain, method for preparing organopolysiloxane polymer having alkoxysilyl-ethylene group at terminal, room temperature curable composition and molded product which is cured product thereof | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2016-10-25 | — | — | US | disclosed |
| US-20150315428-A1 | NOVEL ORGANOPOLYSILOXANE COMPOUND HAVING ETHYNYL GROUPS, METHOD FOR PREPARING LINEAR ORGANOPOLYSILOXANE COMPOUND HAVING ETHYNYL GROUPS AT BOTH TERMINALS OF MOLECULAR CHAIN, METHOD FOR PREPARING ORGANOSILOXANE POLYMER HAVING ALKOXYSILYL-ETHYLENE GROUP AT TERMINAL, ROOM TEMPERATURE CURABLE COMPOSITION AND MOLDED PRODUCT WHICH IS CURED PRODUCT THEREOF | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2015-11-05 | — | — | US | disclosed |
| US-20130035452-A1 | POLYSILOXANE BLOCK COPOLYMERS AND USE THEREOF IN COSMETIC FORMULATIONS | EVONIK GOLDSCHMIDT GMBH (DE) | 2013-02-07 | — | — | US | disclosed |
| US-20120329955-A1 | POLYSILOXANE BLOCK COPOLYMERS AND THE USE THEREOF IN COSMETIC FORMULATIONS | EVONIK GOLDSCHMIDT GMBH (DE) | 2012-12-27 | — | — | US | disclosed |
| US-20110230619-A1 | Nitrogen-Containing Organosilicon Graft Copolymers | EVONIK GOLDSCHMIDT GMBH (DE) | 2011-09-22 | — | — | US | disclosed |