⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25677 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL11200600 | 0.78 | ALDH1A1 (0.41) | — | |
| SCHEMBL28488325 | 0.78 | ALDH1A1 (0.41) | — | |
| Hydrazine SCHEMBL8693903 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL2131010 | 0.67 | S100A4 (0.34) | — | |
| SCHEMBL6904635 | 0.67 | ALDH1A1 (0.44) | — | |
| SCHEMBL2098381 | 0.65 | — | — | |
| SCHEMBL26325 | 0.64 | TSHR (0.48) | — | |
| SCHEMBL3296222 | 0.63 | CRHBP (0.49) | — | |
| SCHEMBL7585983 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2516451-A2 | THERMOSTABLE XYLANASE FOR THE SELECTIVE HYDROLYSIS OF PENTOSE-CONTAINING POLYSACCHARIDES | Süd-Chemie IP GmbH & Co. KG (DE) | 2012-10-31 | — | — | EP | disclosed |
| CN-102443030-A | Photocleavable labeled nucleotides and nucleosides and methods of use thereof in DNA sequencing | LASERGEN INC | 2012-05-09 | — | — | CN | disclosed |
| WO-2011080078-A2 | THERMOSTABLE XYLANASE FOR THE SELECTIVE HYDROLYSIS OF PENTOSE-CONTAINING POLYSACCHARIDES | Süd-Chemie AG (DE) | 2011-07-07 | — | — | WO | disclosed |
| CN-101636406-A | Photocleavable labeled nucleotides and nucleosides and methods of use thereof in DNA sequencing | LASERGEN INC | 2010-01-27 | — | — | CN | disclosed |