⚠ 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 | |
|---|---|---|---|---|
| 2-Mercaptoethanesulfonic Acid SCHEMBL10413265 | 0.93 | KDM4E (0.88) | — | |
| 2-Mercaptoethanesulfonic Acid SCHEMBL10412576 | 0.93 | KDM4E (0.88) | — | |
| 2-Mercaptoethanesulfonic Acid SCHEMBL7993 | 0.93 | — | — | |
| 2-Mercaptoethanesulfonic Acid SCHEMBL8048601 | 0.93 | KDM4E (0.88) | — | |
| 2-Mercaptoethanesulfonic Acid SCHEMBL2301571 | 0.93 | KDM4E (1.00) | — | |
| 2-Mercaptoethanesulfonic Acid SCHEMBL3271658 | 0.93 | — | — | |
| 2-Mercaptoethanesulfonic Acid SCHEMBL6316228 | 0.93 | — | — | |
| 2-Mercaptoethanesulfonic Acid SCHEMBL8048597 | 0.93 | — | — | |
| 2-Mercaptoethanesulfonic Acid SCHEMBL21333894 | 0.90 | — | — | |
| 2-Mercaptoethanesulfonic Acid SCHEMBL26112497 | 0.90 | — | — |
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-2599799-B1 | SINGLE-LAYER FILM AND HYDROPHILIC MATERIAL COMPRISING SAME | MITSUI CHEMICALS INC (JP) | 2016-05-25 | — | — | EP | disclosed |
| US-9034464-B2 | Single layer film and hydrophilic material comprising the same | MITSUI CHEMICALS, INC. (JP) | 2015-05-19 | — | — | US | disclosed |
| US-20130156959-A1 | SINGLE-LAYER FILM AND HYDROPHILIC MATERIAL COMPRISING THE SAME | MITSUI CHEMICALS, INC. (JP) | 2013-06-20 | — | — | US | disclosed |
| EP-2599799-A1 | SINGLE-LAYER FILM AND HYDROPHILIC MATERIAL COMPRISING SAME | Mitsui Chemicals, Inc. (JP) | 2013-06-05 | — | — | EP | disclosed |