Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Chloroprene. 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 | |
|---|---|---|---|---|
| Methacrylic Acid SCHEMBL6049026 | 0.88 | ALDH1A1 (0.45) | — | |
| Acetic Acid SCHEMBL10651012 | 0.84 | ALDH1A1 (0.53) | — | |
| SCHEMBL27380456 | 0.81 | — | — | |
| Chloroprene SCHEMBL10792424 | 0.80 | ALDH1A1 (0.50) | — | |
| Chloroprene SCHEMBL302230 | 0.80 | ALDH1A1 (0.71) | — | |
| Acetic Acid SCHEMBL11440462 | 0.80 | — | — | |
| 1,1-Dichloroethene SCHEMBL11666562 | 0.79 | — | — | |
| Chloroprene SCHEMBL20161 | 0.79 | — | — | |
| Chloroprene SCHEMBL11408807 | 0.79 | ALDH1A1 (0.43) | — | |
| Chloroprene SCHEMBL9451156 | 0.79 | ALDH1A1 (0.43) | — |
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-20120057100-A1 | OPTICAL MEMBERS AND DEVICES EMPLOYING THE SAME | 3M INNOVATIVE PROPERTIES COMPANY | 2012-03-08 | — | — | US | disclosed |
| WO-2010135213-A2 | OPTICAL MEMBERS AND DEVICES EMPLOYING THE SAME | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2010-11-25 | — | — | WO | disclosed |
| US-5292364-A | Containing organometallic compound, organic polymer and below a specified moisture content; bonding substrates | TOAGOSEI CHEMICA INDUSTRY CO., LTD. (JP) | 1994-03-08 | — | — | US | disclosed |