⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15330621 | 0.81 | — | — | |
| SCHEMBL11639745 | 0.79 | — | — | |
| Bromide SCHEMBL11738317 | 0.78 | INMT (0.45) | — | |
| SCHEMBL9350759 | 0.75 | — | — | |
| SCHEMBL7803036 | 0.72 | CYP3A4 (0.35) | — | |
| SCHEMBL9711159 | 0.71 | ALDH1A1 (0.34) | — | |
| SCHEMBL9711153 | 0.71 | ALDH1A1 (0.34) | — | |
| SCHEMBL10829163 | 0.71 | CYP3A4 (0.34) | — | |
| SCHEMBL8958844 | 0.70 | CYP3A4 (0.46) | — | |
| SCHEMBL462082 | 0.70 | CYP3A4 (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 |
|---|---|---|---|---|---|---|---|
| WO-2011135303-A2 | UBIQUITINATION MODULATORS | ITI SCOTLAND LIMITED (GB) | 2011-11-03 | — | — | WO | disclosed |
| EP-0467599-B1 | N-Alkyl thiazolidine derivatives | SANTEN PHARMACEUTICAL CO LTD (JP) | 1994-09-14 | — | — | EP | disclosed |
| US-5202342-A | Usefule for treatment of liver disorders | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 1993-04-13 | — | — | US | disclosed |
| EP-0467599-A1 | N-Alkyl thiazolidine derivatives | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 1992-01-22 | — | — | EP | disclosed |