⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15005720 | 0.75 | CYP3A4 (0.32) | — | |
| SCHEMBL4583504 | 0.75 | MEN1 (0.34) | — | |
| SCHEMBL15005719 | 0.75 | CYP3A4 (0.32) | — | |
| SCHEMBL9115990 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL9115974 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL9115979 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL9115980 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL1781885 | 0.74 | — | — | |
| SCHEMBL15080408 | 0.74 | — | — | |
| SCHEMBL7660812 | 0.74 | CYP3A4 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104428348-A | Terpene/isoolefin copolymers having substantially heterogeneous compositional distribution and displaying thermoplastic elastomeric properties | UNIV AKRON | 2015-03-18 | — | — | CN | claimed |
| US-4247719-A | SELECTIVE CATALYTIC DEALKYLATION OF THE 4-TERT-ALKYL-2,5-XYLENOL ISOMER | CONOCO, INC. (US) | 1981-01-27 | — | — | US | claimed |
| CN-104277498-A | MODIFIED LAYERED FILLERS AND THEIR USE TO PRODUCE NANOCOMPOSITE COMPOSITIONS | EXXONMOBIL CHEM PATENTS INC | 2015-01-14 | — | — | CN | disclosed |
| CN-101111569-A | Modified layered fillers and their use to prepare nanocomposite compositions | EXXONMOBIL CHEM PATENTS INC (US) | 2008-01-23 | — | — | CN | disclosed |
| US-4010188-A | Catalytic conversion of saturated hydrocarbons to unsaturated products by oxidation in the presence of a halogen | STANDARD OIL COMPANY (US) | 1977-03-01 | — | — | US | disclosed |