Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hydrochloric Acid. 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 | |
|---|---|---|---|---|
| Fluoride Ion SCHEMBL7530415 | 0.95 | — | — | |
| Bromide SCHEMBL7527130 | 0.95 | — | — | |
| SCHEMBL8671666 | 0.80 | — | — | |
| Butadiene SCHEMBL8665615 | 0.80 | — | — | |
| SCHEMBL8755557 | 0.79 | — | — | |
| SCHEMBL8667724 | 0.75 | — | — | |
| SCHEMBL8668596 | 0.74 | — | — | |
| SCHEMBL8147763 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL6858079 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL7743387 | 0.70 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1153947-B1 | OLEFIN COPOLYMER, FILM, AND SHEET | IDEMITSU KOSAN CO (JP) | 2007-06-13 | — | — | EP | disclosed |
| US-6696527-B1 | TERPOLYMER COMPRISED OF CYCLIC OLEFIN, AROMATIC VINYL AND ALIPHATIC ALPHA-OLEFIN MONOMERS; HALOGEN FREE SOFT RESIN; ELASTICITY; TRANSPARENCY | IDEMITSU PETROCHEMICAL CO. LTD. (JP) | 2004-02-24 | — | — | US | disclosed |
| US-20020077433-A1 | Catalyst system for the polymerization of dienes | BAYER AKTIENGESELLSCHAFT (DE) | 2002-06-20 | — | — | US | disclosed |
| EP-1153947-A1 | OLEFIN COPOLYMER, FILM, AND SHEET | IDEMITSU PETROCHEMICAL CO., LTD. (JP) | 2001-11-14 | — | — | EP | disclosed |
| EP-0716092-B1 | Organic transition metal compound and process for the preparation of polyolefin using same | TOSOH CORP (JP) | 2000-10-25 | — | — | EP | disclosed |
| US-5770666-A | METALLOCENE | TOSOH CORPORATION (JP) | 1998-06-23 | — | — | US | disclosed |
| EP-0716092-A1 | Organic transition metal compound and process for the preparation of polyolefin using same | TOSOH CORPORATION (JP) | 1996-06-12 | — | — | EP | disclosed |