⚠ 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 SCHEMBL250 | 0.84 | — | — | |
| Butadiene SCHEMBL11854764 | 0.84 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL11480793 | 0.84 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL10457929 | 0.84 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL461643 | 0.84 | — | — | |
| Butadiene SCHEMBL1408241 | 0.80 | — | — | |
| Butadiene SCHEMBL23406461 | 0.77 | — | — | |
| Butadiene SCHEMBL1554231 | 0.77 | — | — | |
| Butadiene SCHEMBL3319970 | 0.77 | — | — | |
| Butadiene SCHEMBL9155634 | 0.77 | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119592295-A | High-fluidity high-strength alcohol-type transparent coating adhesive and manufacturing method thereof | 广东长鹿新材料科技有限公司 | 2025-03-11 | — | — | CN | claimed |
| CN-107722892-A | It is a kind of can the organosilicon adhesive sprawled of high thickness and preparation method thereof | 复旦大学 | 2018-02-23 | — | — | CN | claimed |
| CN-119592295-A | High-fluidity high-strength alcohol-type transparent coating adhesive and manufacturing method thereof | 广东长鹿新材料科技有限公司 | 2025-03-11 | — | — | CN | disclosed |
| CN-110719922-B | Silane-functionalized poly (farnesene) and rubber mixtures comprising the same | 飞纳技术有限公司 | 2022-07-05 | — | — | CN | disclosed |
| CN-110719922-A | Silane-functionalized poly (farnesene) and rubber mixtures comprising the same | 飞纳技术有限公司 | 2020-01-21 | — | — | CN | disclosed |
| CN-105086912-B | A kind of stronitum stannate nanometer rods composite electron encapsulating material | 安徽工业大学 | 2017-07-04 | — | — | CN | disclosed |
| CN-101427383-B | Photovoltaic cell | CIBA HOLDING INC | 2012-05-16 | — | — | CN | disclosed |
| CN-101427383-A | Photovoltaic cell | CIBA HOLDING INC (CH) | 2009-05-06 | — | — | CN | disclosed |
| CN-101325874-A | Trioxane dimers having high anticancer and long-lasting antimalarial activities | UNIV JOHNS HOPKINS (US) | 2008-12-17 | — | — | CN | disclosed |
| US-5605991-A | WITH AN ORGANO-ALKALI METAL COMPOUND; POLYMERIZATION CATALYST FOR CONJUGATED ALKADIENES AND MONOALKENYL AROMATIC HYDROCARBONS | SHELL OIL COMPANY (US) | 1997-02-25 | — | — | US | disclosed |