⚠ 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 SCHEMBL4467996 | 0.74 | POLB (0.31) | — | |
| Hydrochloric Acid SCHEMBL4463298 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL2115064 | 0.71 | GPR3 (0.30) | — | |
| SCHEMBL4577661 | 0.66 | — | — | |
| Bromide SCHEMBL9065723 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL6916548 | 0.63 | GPR3 (0.40) | — | |
| Hydrochloric Acid SCHEMBL6544518 | 0.63 | — | — | |
| SCHEMBL4873073 | 0.63 | PNMT (0.34) | — | |
| Hydrochloric Acid SCHEMBL16424528 | 0.63 | — | — | |
| SCHEMBL8163122 | 0.62 | HTR2A (0.40) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1448568-A4 | DICOPS CONTAINING ACETYLENIC SUBSTITUENTS | EXXONMOBIL CHEM PATENTS INC (US) | 2008-02-13 | — | — | EP | disclosed |
| EP-1448568-A2 | DICOPS CONTAINING ACETYLENIC SUBSTITUENTS | ExxonMobil Chemical Patents Inc. (US) | 2004-08-25 | — | — | EP | disclosed |
| WO-2003040070-A2 | DICOPS CONTAINING ACETYLENIC SUBSTITUENTS | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2003-05-15 | — | — | WO | disclosed |