Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Butyl Chloride. 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 | |
|---|---|---|---|---|
| Butyl Chloride SCHEMBL14719151 | 1.00 | TSHR (0.65) | — | |
| Butyl Chloride SCHEMBL7820081 | 0.97 | TSHR (0.61) | — | |
| Acetic Acid SCHEMBL7087942 | 0.92 | TSHR (0.63) | — | |
| Butyl Chloride SCHEMBL11705024 | 0.91 | — | — | |
| Acetic Acid SCHEMBL28178945 | 0.89 | TSHR (0.68) | — | |
| Butyl Chloride SCHEMBL3231402 | 0.86 | — | — | |
| Butyl Chloride SCHEMBL27296895 | 0.86 | — | — | |
| Hexane SCHEMBL866879 | 0.85 | AKR1B1 (0.52) | — | |
| Pentane SCHEMBL509311 | 0.85 | ALDH1A1 (0.46) | — | |
| Acetic Acid SCHEMBL29024963 | 0.83 | TSHR (0.52) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0295049-B1 | THIOPHENE SULFONAMIDE ANTIGLAUCOMA AGENTS | MERCK & CO. INC. (US) | 1991-10-09 | — | — | EP | disclosed |