⚠ 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 | |
|---|---|---|---|---|
| Butadiene SCHEMBL11854764 | 0.91 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL250 | 0.91 | — | — | |
| Butadiene SCHEMBL11480793 | 0.91 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL10457929 | 0.91 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL461643 | 0.91 | — | — | |
| Butadiene SCHEMBL23531180 | 0.83 | — | — | |
| Butadiene SCHEMBL11300749 | 0.83 | — | — | |
| Butadiene SCHEMBL5842413 | 0.83 | — | — | |
| Butadiene SCHEMBL3658959 | 0.83 | — | — | |
| Butadiene SCHEMBL9155634 | 0.83 | TRPA1 (0.40) | — |
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-2468799-B1 | PROCESS FOR PRODUCTION OF MODIFIED POLYSILOXANE COMPOUND | NIPPON SODA CO (JP) | 2014-04-30 | — | — | EP | disclosed |
| US-8420744-B2 | Process for the production of modified polysiloxanes | NIPPON SODA CO., LTD. (JP) | 2013-04-16 | — | — | US | disclosed |
| EP-2468799-A1 | PROCESS FOR PRODUCTION OF MODIFIED POLYSILOXANE COMPOUND | Nippon Soda Co., Ltd. (JP) | 2012-06-27 | — | — | EP | disclosed |
| US-20120136122-A1 | PROCESS FOR PRODUCTION OF MODIFIED POLYSILOXANE COMPOUND | NIPPON SODA CO., LTD. (JP) | 2012-05-31 | — | — | US | disclosed |