Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Butadiene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL15561428 | 0.87 | FFAR3 (0.39) | — | |
| Butadiene SCHEMBL579958 | 0.84 | — | — | |
| Acrylic Acid SCHEMBL29856060 | 0.83 | LMNA (0.46) | — | |
| Methacrylic Acid SCHEMBL3920486 | 0.72 | — | — | |
| Butadiene SCHEMBL716219 | 0.71 | — | — | |
| SCHEMBL3271570 | 0.69 | TSHR (0.33) | — | |
| Butadiene SCHEMBL11356506 | 0.68 | — | — | |
| SCHEMBL6822696 | 0.68 | — | — | |
| Butadiene SCHEMBL22193911 | 0.68 | FFAR3 (0.54) | — | |
| Butadiene SCHEMBL3329730 | 0.68 | FFAR3 (0.54) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11239491-B2 | Solid state electrolyte and electrochemical cell including the electrolyte | UNIVERSITY OF SOUTH CAROLINA (US) | 2022-02-01 | — | — | US | disclosed |
| US-20180138543-A1 | Solid State Electrolyte and Electrochemical Cell Including the Electrolyte | UNIVERSITY OF SOUTH CAROLINA | 2018-05-17 | — | — | US | disclosed |
| US-6447952-B1 | FOR USE IN HIGH ENERGY DENSITY SECONDARY BATTERIES FOR PORTABLE ELECTRONIC DEVICES; COMPRISING A CYCLIC CARBONATE-CONTAINING POLYSILOXANE CHAIN EXTENDED OR CROSSLINKED WITH A MODIFICATION SILANE | ELTRON RESEARCH, INC. | 2002-09-10 | — | — | US | disclosed |