⚠ 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 SCHEMBL7929226 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL5184882 | 0.97 | — | — | |
| Bromide SCHEMBL7933872 | 0.97 | CYP2D6 (0.32) | — | |
| Hydrochloric Acid SCHEMBL9577837 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL8015242 | 0.71 | — | — | |
| SCHEMBL4576220 | 0.70 | HTR2A (0.39) | — | |
| Hydrochloric Acid SCHEMBL8713393 | 0.69 | HTR2A (0.38) | — | |
| Hydrochloric Acid SCHEMBL3661444 | 0.68 | GPR3 (0.33) | — | |
| SCHEMBL1080492 | 0.68 | SIGMAR1 (0.33) | — | |
| Fluoride Ion SCHEMBL7641581 | 0.67 | HTR2A (0.39) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7332551-B2 | Partially fluorinated naphthyl-based borates | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2008-02-19 | — | — | US | disclosed |
| EP-1448568-A4 | DICOPS CONTAINING ACETYLENIC SUBSTITUENTS | EXXONMOBIL CHEM PATENTS INC (US) | 2008-02-13 | — | — | EP | disclosed |
| US-7077977-B2 | Bulky borate activations | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2006-07-18 | — | — | US | disclosed |
| US-6909008-B2 | Cocatalyst compositions | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2005-06-21 | — | — | US | disclosed |
| US-20050049436-A1 | Partially fluorinated naphthyl-based borates | EXXONMOBIL CHEMICAL PATENTS INC. | 2005-03-03 | — | — | US | disclosed |
| US-20040254065-A1 | Bulky borate activations | EXXONMOBIL CHEMICAL PATENTS INC. | 2004-12-16 | — | — | US | disclosed |
| US-20040199021-A1 | DICOPS CONTAINING ACETYLENIC SUBSTITUENTS | EXXONMOBIL CHEMICAL PATENTS INC. | 2004-10-07 | — | — | US | disclosed |
| EP-1463738-A1 | PARTIALLY FLUORINATED NAPHTHYL-BASED BORATES | Exxonmobil Chemical Patents Inc. (US) | 2004-10-06 | — | — | EP | disclosed |
| EP-1461152-A1 | BULKY BORATE ACTIVATORS | ExxonMobil Chemical Patents Inc. (US) | 2004-09-29 | — | — | EP | disclosed |
| EP-1448568-A2 | DICOPS CONTAINING ACETYLENIC SUBSTITUENTS | ExxonMobil Chemical Patents Inc. (US) | 2004-08-25 | — | — | EP | disclosed |
| US-20040152591-A1 | Polymerized metallocene catalyst composition | EXXONMOBIL CHEMICAL PATENTS, INC. | 2004-08-05 | — | — | US | disclosed |
| WO-2003051892-A1 | PARTIALLY FLUORINATED NAPHTHYL-BASED BORATES | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2003-06-26 | — | — | WO | disclosed |
| WO-2003049856-A1 | BULKY BORATE ACTIVATORS | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2003-06-19 | — | — | WO | disclosed |
| WO-2003040070-A2 | DICOPS CONTAINING ACETYLENIC SUBSTITUENTS | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2003-05-15 | — | — | WO | disclosed |