⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2749542 | 0.76 | — | — | |
| SCHEMBL3138105 | 0.72 | — | — | |
| SCHEMBL6552244 | 0.70 | — | — | |
| SCHEMBL6552693 | 0.68 | — | — | |
| SCHEMBL1116594 | 0.65 | ALDH1A1 (0.31) | — | |
| SCHEMBL3814698 | 0.62 | — | — | |
| SCHEMBL2747941 | 0.60 | — | — | |
| SCHEMBL105638 | 0.60 | — | — | |
| SCHEMBL106644 | 0.59 | — | — | |
| SCHEMBL340594 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3315503-A2 | METHOD FOR PRODUCING SILANE COMPOUND INCLUDING BIS(SILYL)AMINO GROUP | Shin-Etsu Chemical Co., Ltd. (JP) | 2018-05-02 | — | — | EP | disclosed |
| US-9493629-B2 | Modified butadiene-based polymer composition | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2016-11-15 | — | — | US | disclosed |
| EP-1865023-B1 | MODIFIED BUTADIENE POLYMER COMPOSITION | ASAHI KASEI CHEMICALS CORP (JP) | 2011-05-04 | — | — | EP | disclosed |
| US-20090111933-A1 | Modified Butadiene-Based Polymer Composition | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2009-04-30 | — | — | US | disclosed |
| EP-1865023-A1 | MODIFIED BUTADIENE POLYMER COMPOSITION | Asahi Kasei Chemicals Corporation (JP) | 2007-12-12 | — | — | EP | disclosed |