⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17229566 | 0.91 | — | — | |
| SCHEMBL17229589 | 0.89 | — | — | |
| SCHEMBL17229565 | 0.85 | — | — | |
| SCHEMBL17229572 | 0.83 | — | — | |
| SCHEMBL17229577 | 0.79 | — | — | |
| SCHEMBL17229576 | 0.77 | — | — | |
| SCHEMBL17229564 | 0.77 | — | — | |
| SCHEMBL8759470 | 0.74 | — | — | |
| SCHEMBL17229563 | 0.72 | — | — | |
| SCHEMBL17229590 | 0.72 | — | — |
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 2 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 |