⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17199741 | 0.89 | — | — | |
| SCHEMBL17199746 | 0.71 | ESR1 (0.35) | — | |
| SCHEMBL936542 | 0.70 | ESR1 (0.32) | — | |
| SCHEMBL9444685 | 0.70 | ESR1 (0.32) | — | |
| SCHEMBL10708107 | 0.70 | ESR1 (0.32) | — | |
| SCHEMBL17199733 | 0.67 | ESR1 (0.32) | — | |
| SCHEMBL6562956 | 0.67 | CA4 (0.33) | — | |
| SCHEMBL6562663 | 0.67 | CA4 (0.33) | — | |
| SCHEMBL9444693 | 0.67 | ESR1 (0.39) | — | |
| SCHEMBL9732848 | 0.67 | ESR1 (0.39) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2937375-B1 | NOVEL ETHYNYL-GROUP-CONTAINING ORGANOPOLYSILOXANE COMPOUND, METHOD FOR PRODUCING STRAIGHT-CHAIN ORGANOPOLYSILOXANE COMPOUND CONTAINING ETHYNYL GROUP AT BOTH MOLECULAR CHAIN ENDS, METHOD FOR PRODUCING ALKOXYSILYL-ETHYNYL-GROUP-TERMINATED ORGANOSILOXANE POLYMER, ROOM-TEMPERATURE-CURABLE COMPOSITION, AND MOLDED ARTICLE THAT IS CURED PRODUCT OF SAME | SHINETSU CHEMICAL CO (JP) | 2020-08-05 | — | — | EP | disclosed |
| 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 |
| EP-2937375-A1 | NOVEL ETHYNYL-GROUP-CONTAINING ORGANOPOLYSILOXANE COMPOUND, METHOD FOR PRODUCING STRAIGHT-CHAIN ORGANOPOLYSILOXANE COMPOUND CONTAINING ETHYNYL GROUP AT BOTH MOLECULAR CHAIN ENDS, METHOD FOR PRODUCING ALKOXYSILYL-ETHYNYL-GROUP-TERMINATED ORGANOSILOXANE POLYMER, ROOM-TEMPERATURE-CURABLE COMPOSITION, AND MOLDED ARTICLE THAT IS CURED PRODUCT OF SAME | Shin-Etsu Chemical Co., Ltd. (JP) | 2015-10-28 | — | — | EP | disclosed |