⚠ 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 SCHEMBL817910 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL6897486 | 0.98 | — | — | |
| Isopropyl Alcohol SCHEMBL8625432 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL818599 | 0.77 | NPC1 (0.30) | — | |
| Isopropyl Alcohol SCHEMBL8629388 | 0.74 | — | — | |
| SCHEMBL2907314 | 0.73 | NPC1 (0.31) | — | |
| SCHEMBL1025348 | 0.72 | NPC1 (0.32) | — | |
| SCHEMBL924997 | 0.72 | NPC1 (0.36) | — | |
| SCHEMBL1539590 | 0.72 | NPC1 (0.36) | — | |
| Isopropyl Alcohol SCHEMBL8624603 | 0.71 | FAAH (0.30) | — |
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-2673315-A1 | POLYETHYLENE FILMS | Equistar Chemicals, LP (US) | 2013-12-18 | — | — | EP | disclosed |
| EP-2303937-B1 | METHOD FOR TRANSITIONING BETWEEN INCOMPATIBLE OLEFIN POLYMERIZATION CATALYST SYSTEMS | BASELL POLYOLEFINE GMBH (DE) | 2012-08-29 | — | — | EP | disclosed |
| WO-2012109246-A1 | POLYETHYLENE FILMS | EQUISTAR CHEMICALS, LP (US) | 2012-08-16 | — | — | WO | disclosed |