⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22860055 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL364068 | 0.78 | — | — | |
| SCHEMBL304891 | 0.77 | CXCR2 (0.54) | — | |
| SCHEMBL11648181 | 0.77 | NPC1 (0.53) | — | |
| SCHEMBL1920752 | 0.74 | CXCR2 (0.52) | — | |
| SCHEMBL4406660 | 0.74 | — | — | |
| SCHEMBL23865497 | 0.72 | ALDH1A1 (0.43) | — | |
| SCHEMBL1943622 | 0.72 | — | — | |
| SCHEMBL1488039 | 0.72 | — | — | |
| SCHEMBL457878 | 0.72 | — | — |
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-8962338-B2 | Methods for measurement of calcium ions | ROCHE DIAGNOSTICS OPERATIONS, INC. (US) | 2015-02-24 | — | — | US | disclosed |
| WO-2007056341-A1 | HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-05-18 | — | — | WO | disclosed |
| WO-2001072271-A2 | STABLE ALKALINE HAIR BLEACHING AND COLORING COMPOSITIONS AND METHOD FOR USE THEREOF | THE PROCTER & GAMBLE COMPANY (US) | 2001-10-04 | — | — | WO | disclosed |