⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18723208 | 0.81 | MEN1 (0.42) | — | |
| SCHEMBL29321920 | 0.81 | FFAR1 (0.32) | — | |
| SCHEMBL28205452 | 0.81 | RIPK1 (0.32) | — | |
| SCHEMBL18720978 | 0.75 | MEN1 (0.34) | — | |
| SCHEMBL3101952 | 0.75 | — | — | |
| SCHEMBL29167384 | 0.74 | LMNA (0.43) | — | |
| SCHEMBL28490844 | 0.73 | FDPS (0.37) | — | |
| SCHEMBL11712885 | 0.73 | MEN1 (0.37) | — | |
| SCHEMBL15484206 | 0.73 | MEN1 (0.37) | — | |
| SCHEMBL12027119 | 0.73 | TSHR (0.42) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8258362-B2 | Method for the production of α, ω-olefins by using the copper catalyzed coupling reaction of a Grignard reagent with an allylic substrate | ISP INVESTMENTS INC. (US) | 2012-09-04 | — | — | US | disclosed |
| US-20100280299-A1 | METHOD FOR THE PRODUCTION OF ALPHA, OMEGA-OLEFINS BY USING THE COPPER CATALYZED COUPLING REACTION OF A GRIGNARD REAGENT WITH AN ALLYLIC SUBSTRATE | ISP INVESTMENTS INC. (US) | 2010-11-04 | — | — | US | disclosed |