Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Fluoride Ion. 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL451465 | 0.94 | — | — | |
| Fluoride Ion SCHEMBL152352 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL8373829 | 0.88 | KDM4E (0.31) | — | |
| Hydrochloric Acid SCHEMBL42633 | 0.80 | — | — | |
| SCHEMBL7964200 | 0.80 | — | — | |
| Bromide SCHEMBL150934 | 0.80 | — | — | |
| SCHEMBL5361808 | 0.80 | — | — | |
| SCHEMBL127358 | 0.80 | — | — | |
| SCHEMBL1165283 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL27596871 | 0.80 | KDM4E (0.33) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5795839-A | COORDINATION POLYMERIZATION CATALYST FOR POLYOLEFIN MANUFACTURE | NIPPON OIL CO., LTD. (JP) | 1998-08-18 | — | — | US | disclosed |
| EP-0546690-B1 | Catalyst components for polymerization of olefins | NIPPON OIL CO LTD (JP) | 1998-03-04 | — | — | EP | disclosed |
| US-5707914-A | ZIRCONIUM OR HAFNIUM ALKYLS OR ALKOXIDES | NIPPON OIL CO., LTD. (JP) | 1998-01-13 | — | — | US | disclosed |
| US-5677401-A | COORDINATION CATALYST | NIPPON OIL CO., LTD. (JP) | 1997-10-14 | — | — | US | disclosed |
| US-5625014-A | Method for polymerization of olefins | NIPPON OIL CO., LTD. (JP) | 1997-04-29 | — | — | US | disclosed |
| EP-0520816-B1 | Catalyst components for polymerization of olefins | NIPPON OIL CO LTD (JP) | 1995-12-13 | — | — | EP | disclosed |
| US-5331071-A | Transition metal and alumoxane components | NIPPON OIL CO., LTD. (JP) | 1994-07-19 | — | — | US | disclosed |
| EP-0546690-A1 | Catalyst components for polymerization of olefins | NIPPON OIL CO. LTD. (JP) | 1993-06-16 | — | — | EP | disclosed |
| EP-0520816-A2 | Catalyst components for polymerization of olefins | NIPPON OIL CO. LTD. (JP) | 1992-12-30 | — | — | EP | disclosed |