⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL821677 | 0.58 | — | — | |
| SCHEMBL3804487 | 0.55 | — | — | |
| Butadiene SCHEMBL11854764 | 0.55 | TRPA1 (0.44) | — | |
| SCHEMBL11498161 | 0.55 | — | — | |
| SCHEMBL17164676 | 0.55 | — | — | |
| SCHEMBL192 | 0.55 | — | — | |
| Butadiene SCHEMBL10457929 | 0.55 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL11480793 | 0.55 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL461643 | 0.55 | — | — | |
| Butadiene SCHEMBL250 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116332982-A | Liquid processable diphthalic nitrile monomers and resins | 劳斯莱斯有限公司 | 2023-06-27 | — | — | CN | disclosed |
| CN-112566986-A | Silicon-substituted rhodamine dyes and dye conjugates | 生命技术公司 | 2021-03-26 | — | — | CN | disclosed |
| US-8927671-B2 | Ethylene-α-olefin copolymer | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2015-01-06 | — | — | US | disclosed |
| WO-2010055935-A1 | ETHYLENE-α-OLEFIN COPOLYMER AND MOLDED OBJECT THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-05-20 | — | — | WO | disclosed |