⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16161197 | 1.00 | — | — | |
| SCHEMBL16161213 | 1.00 | — | — | |
| SCHEMBL16161033 | 1.00 | — | — | |
| SCHEMBL16161092 | 1.00 | — | — | |
| SCHEMBL16161154 | 1.00 | — | — | |
| SCHEMBL16161659 | 0.98 | — | — | |
| SCHEMBL16161171 | 0.90 | — | — | |
| SCHEMBL16161192 | 0.79 | — | — | |
| SCHEMBL16161158 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL16161165 | 0.76 | ALDH1A1 (0.31) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2789602-B1 | Omega-halo-2-alkynal, method for producing the same, and method for producing conjugated Z-alken-yn-yl acetate using the same | SHINETSU CHEMICAL CO (JP) | 2017-12-27 | — | — | EP | disclosed |
| US-9550720-B2 | Method for producing an ω-halo-2-alkynal | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2017-01-24 | — | — | US | disclosed |
| US-9376368-B2 | Method for producing a conjugated Z-alken-yn-yl acetate | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2016-06-28 | — | — | US | disclosed |
| US-20160107978-A1 | METHOD FOR PRODUCING A CONJUGATED Z-ALKEN-YN-YL ACETATE | SHINETSU CHEMICAL CO (JP) | 2016-04-21 | — | — | US | disclosed |
| US-20160107969-A1 | METHOD FOR PRODUCING AN OMEGA-HALO-2-ALKYNAL | SHINETSU CHEMICAL CO (JP) | 2016-04-21 | — | — | US | disclosed |
| US-9255056-B2 | Omega-halo-2-alkynal | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2016-02-09 | — | — | US | disclosed |
| US-20140309452-A1 | OMEGA-HALO-2-ALKYNAL, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING CONJUGATED Z-ALKEN-YN-YL ACETATE USING SAME | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2014-10-16 | — | — | US | disclosed |
| EP-2789602-A1 | Omega-halo-2-alkynal, method for producing same, and method for producing conjugated Z-alken-yn-yl acetate using same | SHIN-ETSU CHEMICAL CO., LTD (JP) | 2014-10-15 | — | — | EP | disclosed |
| EP-0241335-B1 | 1-SUBSTITUTED CONJUGATED ALKA-(E,Z)-DIENE COMPOUNDS AND A METHOD FOR THE PREPARATION THEREOF | Shin-Etsu Chemical Co., Ltd. (JP) | 1992-06-03 | — | — | EP | disclosed |
| EP-0241335-A1 | 1-substituted conjugated alka-(E,Z)-diene compounds and a method for the preparation thereof | Shin-Etsu Chemical Co., Ltd. (JP) | 1987-10-14 | — | — | EP | disclosed |