Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 1-Bromobutane. 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 SCHEMBL18537745 | 0.85 | TSHR (0.41) | — | |
| Acetic Acid SCHEMBL25186108 | 0.84 | — | — | |
| Malonic Acid SCHEMBL28116457 | 0.83 | LDHA (0.47) | — | |
| Bicarbonate SCHEMBL29119274 | 0.82 | AKR1B1 (0.50) | — | |
| Hexane SCHEMBL8125919 | 0.81 | AKR1B1 (0.61) | — | |
| Hexane SCHEMBL6982515 | 0.81 | AKR1B1 (0.61) | — | |
| Hexane SCHEMBL6562722 | 0.81 | AKR1B1 (0.61) | — | |
| Hexane SCHEMBL10688418 | 0.81 | AKR1B1 (0.61) | — | |
| Hexane SCHEMBL7487068 | 0.81 | AKR1B1 (0.61) | — | |
| Hexane SCHEMBL18060000 | 0.81 | AKR1B1 (0.61) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1809572-B | Substituted quinobenzoxazine analogs | CYLENE PHARMACEUTICALS INC | 2010-05-12 | — | — | CN | disclosed |
| CN-1809572-A | Substituted quinobenzoxazine analogs | CYLENE PHARMACEUTICALS INC (US) | 2006-07-26 | — | — | CN | disclosed |