⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3108943 | 0.79 | — | — | |
| SCHEMBL3108952 | 0.79 | — | — | |
| SCHEMBL9130393 | 0.78 | — | — | |
| SCHEMBL116713 | 0.76 | — | — | |
| SCHEMBL1233417 | 0.74 | — | — | |
| SCHEMBL1466765 | 0.70 | GAA (0.44) | — | |
| SCHEMBL12820436 | 0.70 | — | — | |
| SCHEMBL17030540 | 0.69 | CES1 (0.39) | — | |
| SCHEMBL104505 | 0.67 | — | — | |
| SCHEMBL2612030 | 0.67 | ALDH1A1 (0.41) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180009805-A1 | THERAPEUTIC COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2018-01-11 | — | — | US | disclosed |
| EP-2674428-B1 | Modulators of ATP-binding cassette transporters | VERTEX PHARMA (US) | 2016-04-06 | — | — | EP | disclosed |
| US-9040715-B2 | 1,2-benzisothiazolinone and isoindolinone derivatives | GEORGETOWN UNIVERSITY (US) | 2015-05-26 | — | — | US | disclosed |