⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18250985 | 0.84 | — | — | |
| SCHEMBL14823512 | 0.83 | TSHR (0.30) | — | |
| SCHEMBL17640533 | 0.83 | TSHR (0.30) | — | |
| SCHEMBL15003288 | 0.83 | TSHR (0.30) | — | |
| SCHEMBL18891643 | 0.81 | — | — | |
| SCHEMBL19224429 | 0.81 | — | — | |
| SCHEMBL16328139 | 0.80 | — | — | |
| SCHEMBL16330298 | 0.79 | — | — | |
| SCHEMBL18934050 | 0.78 | — | — | |
| SCHEMBL17320211 | 0.78 | — | — |
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-20160335632-A1 | WEARABLE DEVICE MADE WITH SILICONE RUBBER AND ELECTRONIC COMPONENTS | FITBIT, INC. | 2016-11-17 | — | — | US | disclosed |
| US-20130096340-A1 | AMINO ACID GROUP-MODIFIED ORGANOPOLYSILOXANE AND SILANE, AMINO ACID GROUP-CONTAINING COMPOUND, AND PRODUCTION METHOD THEREOF | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2013-04-18 | — | — | US | disclosed |