⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12559544 | 0.80 | — | — | |
| SCHEMBL2296346 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL15423981 | 0.67 | ALDH1A1 (0.52) | — | |
| SCHEMBL15423982 | 0.65 | ALDH1A1 (0.39) | — | |
| SCHEMBL15423979 | 0.65 | CYP3A4 (0.43) | — | |
| O-Tolylamine SCHEMBL31231107 | 0.65 | — | — | |
| SCHEMBL12559550 | 0.65 | ALDH1A1 (0.43) | — | |
| SCHEMBL11791406 | 0.65 | — | — | |
| SCHEMBL12590710 | 0.63 | — | — | |
| O-Xylene SCHEMBL3470526 | 0.63 | — | — |
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-20110160154-A1 | SUBSTITUTED PIPERAZINES | AUSPEX PHARMACEUTICALS, INC. (US) | 2011-06-30 | — | — | US | disclosed |
| US-20110152303-A1 | Chemical Compounds | GLAXOSMITHKLINE LLC (US) | 2011-06-23 | — | — | US | disclosed |
| US-20080312247-A1 | SUBSTITUTED PIPERAZINES | AUSPEX PHARMACEUTICALS, INC. (US) | 2008-12-18 | — | — | US | disclosed |