Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Ethylene. 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 SCHEMBL30098005 | 0.96 | CHRNB2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL7552950 | 0.96 | CHRNB2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL8678459 | 0.95 | CHRNB2 (0.30) | — | |
| Ethylene SCHEMBL6916225 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL1685523 | 0.81 | ACHE (0.31) | — | |
| Hydrochloric Acid SCHEMBL7269966 | 0.81 | ELANE (0.34) | — | |
| Hydrochloric Acid SCHEMBL8681903 | 0.80 | CHRNB2 (0.30) | — | |
| Hydrochloric Acid SCHEMBL30098004 | 0.80 | CHRNB2 (0.30) | — | |
| Hydrochloric Acid SCHEMBL7064076 | 0.78 | — | — | |
| Ethylene SCHEMBL781726 | 0.73 | HTR2A (0.36) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0927201-B1 | CATALYST SYSTEM FOR (CO)POLYMERIZATION OF OLEFINS AND PROCESS FOR THE PREPARATION OF OLEFIN (CO)POLYMERS USING THE CATALYST SYSTEM | HYUNDAI PETROCHEMICAL CO LTD (KR) | 2004-04-14 | — | — | EP | disclosed |
| EP-0530908-B2 | Process for the preparation of a bridged metallocene compound as well as a catalyst component and a process for the polymerization of olefins | DSM NV (NL) | 2003-06-04 | — | — | EP | disclosed |
| EP-0530908-B1 | Process for the preparation of a bridged metallocene compound as well as a catalyst component and a process for the polymerization of olefins | DSM NV (NL) | 1999-04-21 | — | — | EP | disclosed |
| US-5646083-A | Process for the preparation of a bridged metallocene compound as well as a catalyst component and a process for the polymerization of olefins | DSM N.V. (NL) | 1997-07-08 | — | — | US | disclosed |
| EP-0530908-A1 | Process for the preparation of a bridged metallocene compound as well as a catalyst component and a process for the polymerization of olefins | DSM N.V. (NL) | 1993-03-10 | — | — | EP | disclosed |