⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4424345 | 1.00 | — | — | |
| SCHEMBL4959144 | 0.92 | — | — | |
| SCHEMBL4961706 | 0.81 | — | — | |
| SCHEMBL27311941 | 0.74 | TSHR (0.42) | — | |
| SCHEMBL9724790 | 0.74 | TSHR (0.42) | — | |
| SCHEMBL25182453 | 0.72 | TSHR (0.46) | — | |
| SCHEMBL25181774 | 0.72 | TSHR (0.46) | — | |
| SCHEMBL4515246 | 0.72 | TSHR (0.46) | — | |
| SCHEMBL25172438 | 0.72 | TSHR (0.46) | — | |
| SCHEMBL6336658 | 0.72 | TSHR (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103539797-B | Compounds of reverse turn mimetics and uses thereof | JW PHARMACEUTICAL CORPORATION (KR) | 2016-05-18 | — | — | CN | disclosed |
| EP-2571920-A2 | MULTI-COLORED CONJUGATED POLYMERS WITH HIGHLY TRANSMISSIVE OXIDIZED STATE | University of Florida Research Foundation, Inc. (US) | 2013-03-27 | — | — | EP | disclosed |
| WO-2012021195-A2 | MULTI-COLORED CONJUGATED POLYMERS WITH HIGHLY TRANSMISSIVE OXIDIZED STATE | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2012-02-16 | — | — | WO | disclosed |
| EP-0021806-A1 | 2,3-Dihydro-imidazo (2,1-b) benzothiazole derivatives and pharmaceutical compositions containing them | JANSSEN PHARMACEUTICA N.V. (BE) | 1981-01-07 | — | — | EP | disclosed |