⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1810245 | 1.00 | — | — | |
| SCHEMBL1813174 | 0.85 | HSD17B10 (0.33) | — | |
| SCHEMBL5873321 | 0.84 | — | — | |
| SCHEMBL1812615 | 0.81 | — | — | |
| SCHEMBL1812616 | 0.81 | — | — | |
| SCHEMBL7542455 | 0.78 | — | — | |
| SCHEMBL5873317 | 0.77 | — | — | |
| SCHEMBL28325305 | 0.70 | HSD17B10 (0.32) | — | |
| SCHEMBL1810915 | 0.69 | — | — | |
| SCHEMBL1808910 | 0.68 | HSD17B10 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011061151-A1 | ETHYLENE COPOLYMERS | BASELL POLYOLEFINE GMBH (DE) | 2011-05-26 | — | — | WO | disclosed |
| WO-2010012587-A1 | ETHYLENE POLYMERS | BASELL POLYOLEFINE ITALIA S.R.L. (IT) | 2010-02-04 | — | — | WO | disclosed |
| US-7141631-B2 | Non-conjugated cyclic diene, non-conjugated cyclic diene composition and method of producing polymer based on non-conjugated cyclic diene | MITSUI CHEMICALS, INC. (JP) | 2006-11-28 | — | — | US | disclosed |
| US-20050131182-A1 | Non-conjugated cyclic diene, non-conjugated cyclic diene composition and method of producing polymer based on non-conjugated cyclic diene | MITSUI CHEMICALS, INC. (JP) | 2005-06-16 | — | — | US | disclosed |