⚠ 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 SCHEMBL11480793 | 1.00 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL250 | 1.00 | — | — | |
| Butadiene SCHEMBL11854764 | 1.00 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL10457929 | 1.00 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL23406461 | 0.91 | — | — | |
| Butadiene SCHEMBL9155634 | 0.91 | TRPA1 (0.40) | — | |
| Butadiene SCHEMBL3319970 | 0.91 | — | — | |
| Butadiene SCHEMBL3658959 | 0.91 | — | — | |
| Butadiene SCHEMBL1554231 | 0.91 | — | — | |
| Butadiene SCHEMBL3122214 | 0.91 | — | — |
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 174 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105324353-B | Common extraction system for separating and purifying butadiene and isoprene | 沙特基础工业公司 | 2017-10-17 | — | — | CN | claimed |
| US-4567309-A | SELECTIVE ADSORPTION FROM HYDROCARBON MIXTURES | UOP INC. (US) | 1986-01-28 | — | — | US | claimed |
| WO-2024114510-A1 | CATALYTIC SYSTEM FOR CONJUGATED DIENE, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 中国科学院青岛生物能源与过程研究所 | 2024-06-06 | — | — | WO | disclosed |
| WO-2023194337-A1 | IMPROVED PROCESS FOR PRODUCING MIDDLE DISTILLATES BY OLIGOMERISATION OF AN OLEFINIC FEEDSTOCK | AXENS (FR) | 2023-10-12 | — | — | WO | disclosed |
| CN-111902281-B | Heat-shrinkable multilayer film and heat-shrinkable label | 郡是株式会社 | 2023-08-29 | — | — | CN | disclosed |
| CN-218790840-U | Rubber sole prepared from styrene butadiene rubber | 温州市巨龙鞋材有限公司 | 2023-04-07 | — | — | CN | disclosed |
| CN-115850823-A | Iron-based catalytic butadiene-isoprene rubber tire tread composite material with high isoprene monomer content and preparation method thereof | 中国科学院青岛生物能源与过程研究所 | 2023-03-28 | — | — | CN | disclosed |
| CN-114929486-A | Laser engravable flexographic printing original plate | 东洋纺株式会社 | 2022-08-19 | — | — | CN | disclosed |
| WO-2022138613-A1 | SECONDARY BATTERY ELECTRODE BINDER AND USE OF SAME | 東亞合成株式会社 | 2022-06-30 | — | — | WO | disclosed |
| WO-2022130989-A1 | BINDER FOR LITHIUM-SULFUR SECONDARY BATTERY ELECTRODE, AND USE THEREOF | 東亞合成株式会社 | 2022-06-23 | — | — | WO | disclosed |
| EP-4004119-A1 | FLUXED BITUMEN/POLYMER COMPOSITION AND METHOD FOR PREPARING SAME | TotalEnergies One Tech (FR) | 2022-06-01 | — | — | EP | disclosed |
| US-4141847-A | Star-shaped polymer reacted with dicarboxylic acid and amine as dispersant viscosity index improver | SHELL OIL COMPANY (US) | 1979-02-27 | — | — | US | disclosed |
| US-4116917-A | VISCOSITY INDEX IMPROVER FOR LUBRICATING OIL | SHELL OIL COMPANY (US) | 1978-09-26 | — | — | US | disclosed |
| US-4077893-A | Star-shaped dispersant viscosity index improver | SHELL OIL COMPANY (US) | 1978-03-07 | — | — | US | disclosed |
| US-4006113-A | Novel coating composition containing acetylene-conjugated diene random copolymers | BRIDGESTONE TIRE COMPANY LIMITED (JA) | 1977-02-01 | — | — | US | disclosed |
| US-3992471-A | Process for the separation of 1,3-butadiene by selective adsorption on a zeolite adsorbent | UOP INC. (US) | 1976-11-16 | — | — | US | disclosed |
| US-3976630-A | Process and catalyst for production of rubbery polymers | PHILLIPS PETROLEUM COMPANY (US) | 1976-08-24 | — | — | US | disclosed |
| US-3970608-A | Epoxidized acetylene-conjugated diene random copolymer and the curable composition comprising the same | BRIDGESTONE TIRE COMPANY LIMITED (JA) | 1976-07-20 | — | — | US | disclosed |
| US-3936490-A | FROM BUTADIENE AND ACETONITRILE WITH A BASIC ALKALI METAL CONTAINING CATALYST | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1976-02-03 | — | — | US | disclosed |
| US-3932551-A | OXIDATIVE DEHYDROGENATION, MIXED METAL OXIDE CATALYST | THE STANDARD OIL COMPANY (US) | 1976-01-13 | — | — | US | disclosed |