Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Methylsulfanylmethane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL687758 | 0.94 | CYP19A1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL29565043 | 0.94 | CYP19A1 (0.32) | — | |
| Ethylene SCHEMBL5512109 | 0.91 | CYP19A1 (0.30) | — | |
| Fluoride Ion SCHEMBL1131352 | 0.90 | — | — | |
| Bromide SCHEMBL2526728 | 0.90 | HTR2A (0.32) | — | |
| Toluene SCHEMBL7806717 | 0.89 | LMNA (0.41) | — | |
| Hydrochloric Acid SCHEMBL9572196 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL21980355 | 0.86 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL6553652 | 0.86 | GPR3 (0.33) | — | |
| Hydrochloric Acid SCHEMBL7926584 | 0.83 | CYP19A1 (0.30) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1397400-B1 | LATENT METALLOCENE CATALYST SYSTEMS FOR OLEFIN POLYMERIZATION | INEOS USA LLC (US) | 2011-07-13 | — | — | EP | disclosed |
| EP-2275453-A1 | Latent metallocene catalyst systems for olefin polymerization | Ineos USA LLC (US) | 2011-01-19 | — | — | EP | disclosed |
| EP-1373325-B1 | LATENT METALLOCENE CATALYST SYSTEMS FOR OLEFIN POLYMERIZATION | INEOS USA LLC (US) | 2008-03-19 | — | — | EP | disclosed |
| US-7041757-B2 | Latent metallocene catalyst systems for olefin polymerization | INNOVENE USA LLC (US) | 2006-05-09 | — | — | US | disclosed |
| US-6998449-B2 | Latent metallocene catalyst systems for olefin polymerization | BP CORPORATION NORTH AMERICA (US) | 2006-02-14 | — | — | US | disclosed |
| US-20050026773-A1 | Latent metallocene catalyst systems for olefin polymerization | HALL RICHARD A (US) | 2005-02-03 | — | — | US | disclosed |
| US-6803339-B2 | TEMPORARILY AND REVERSIBLY PASSIVATING BY CONTACTING WITH AN UNSATURATED HYDROCARBON, SUCH AS C4-C14 ALKYNES, C4-C14 ALLENES AND CYCLOALKENES. | BP CORPORATION NORTH AMERICA INC. | 2004-10-12 | — | — | US | disclosed |
| EP-1397400-A1 | LATENT METALLOCENE CATALYST SYSTEMS FOR OLEFIN POLYMERIZATION | BP Corporation North America Inc. (US) | 2004-03-17 | — | — | EP | disclosed |
| EP-1373325-A2 | LATENT METALLOCENE CATALYST SYSTEMS FOR OLEFIN POLYMERIZATION | BP Corporation North America Inc. (US) | 2004-01-02 | — | — | EP | disclosed |
| US-20030104927-A1 | Latent metallocene catalyst systems for olefin polymerization | BARCLAYS BANK PLC, AS SECURITY AGENT (GB) | 2003-06-05 | — | — | US | disclosed |
| WO-2003025023-A2 | LATENT METALLOCENE CATALYST SYSTEMS FOR OLEFIN POLYMERIZATION | BP CORPORATION NORTH AMERICA INC. (US) | 2003-03-27 | — | — | WO | disclosed |
| WO-2003025029-A1 | LATENT METALLOCENE CATALYST SYSTEMS FOR OLEFIN POLYMERIZATION | BP CORPORATION NORTH AMERICA INC. (US) | 2003-03-27 | — | — | WO | disclosed |
| US-20030054943-A1 | Latent metallocene catalyst systems for olefin polymerization | BARCLAYS BANK PLC, AS SECURITY AGENT (GB) | 2003-03-20 | — | — | US | disclosed |
| US-6152543-A | COMPRISING, AS ACTIVE INGREDIENTS, A COMPLEX COMPOUND OF METALS IN SUB-GROUPS IV AND V OF THE PERIODIC TABLE AND AN OLIGOMERIC ALUMOXAN COMPOUND | BASF AKTIENGESELLSCHAFT (DE) | 2000-11-28 | — | — | US | disclosed |
| US-5474961-A | Mixed with alumoxane and organic halide, reverse deactivation | BASF AKTIENGESELLSCHAFT (DE) | 1995-12-12 | — | — | US | disclosed |