⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL421446 | 1.00 | TSHR (0.46) | — | |
| SCHEMBL6557409 | 1.00 | TSHR (0.46) | — | |
| SCHEMBL12154290 | 0.94 | TSHR (0.42) | — | |
| SCHEMBL1963100 | 0.94 | TSHR (0.42) | — | |
| SCHEMBL23837211 | 0.94 | TSHR (0.42) | — | |
| SCHEMBL93519 | 0.92 | TSHR (0.45) | — | |
| SCHEMBL280546 | 0.92 | TSHR (0.41) | — | |
| SCHEMBL20685518 | 0.92 | TSHR (0.45) | — | |
| SCHEMBL268391 | 0.91 | LMNA (0.47) | — | |
| SCHEMBL28027884 | 0.91 | TSHR (0.43) | — |
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-101208334-B | Novel cyclic amines | HOFFMANN LA ROCHE | 2012-06-13 | — | — | CN | disclosed |
| CN-101456825-B | Method for preparing acrylic nitrile derivates | ZHEJIANG GUOBANG PHARMACEUTICAL CO LTD | 2012-01-11 | — | — | CN | disclosed |
| US-20100308273-A1 | TERMINALLY MODIFIED ACRYLIC POLYMER AND METHOD FOR PRODUCING TERMINALLLY MODIFIED ACRYLIC POLYMER | SEKISUI CHEMICAL CO., LTD. (JP) | 2010-12-09 | — | — | US | disclosed |
| CN-101456825-A | Preparation method of acrylonitrile derivative | ZHEJIANG GUOBANG PHARMACEUTICA (CN) | 2009-06-17 | — | — | CN | disclosed |
| CN-101208334-A | Novel cyclic amines | HOFFMANN LA ROCHE (CH) | 2008-06-25 | — | — | CN | disclosed |