⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5597063 | 0.80 | — | — | |
| SCHEMBL3771818 | 0.79 | TSHR (0.39) | — | |
| SCHEMBL10495833 | 0.78 | IDO1 (0.54) | — | |
| Hydrochloric Acid SCHEMBL10937710 | 0.75 | IDO1 (0.57) | — | |
| SCHEMBL7790194 | 0.73 | — | — | |
| SCHEMBL18274687 | 0.73 | — | — | |
| SCHEMBL17164988 | 0.73 | CYP1A2 (0.43) | — | |
| SCHEMBL5597124 | 0.73 | — | — | |
| Cystamine SCHEMBL9417963 | 0.71 | TSHR (0.67) | — | |
| SCHEMBL4405064 | 0.71 | HSD17B10 (0.37) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104678462-B | Silicone hydrogel lens with crosslinking hydrophilic coating | 诺华股份有限公司 | 2019-11-05 | — | — | CN | disclosed |
| US-20120065365-A1 | Stable Radiopharmaceutical Compositions and Methods for Their Preparation | BRACCO IMAGING S.P.A. (IT) | 2012-03-15 | — | — | US | disclosed |
| US-20110206606-A1 | STABLE RADIOPHARMACEUTICAL COMPOSITIONS AND METHODS FOR PREPARATION | BRACCO IMAGING S.P.A. (IT) | 2011-08-25 | — | — | US | disclosed |
| US-5986042-A | Cross-linked polymer | MITSUI CHEMICALS, INC. (JP) | 1999-11-16 | — | — | US | disclosed |
| EP-0856539-A1 | Cross-linked polymer | Mitsui Chemicals, Inc. (JP) | 1998-08-05 | — | — | EP | disclosed |