⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL522356 | 0.80 | GRM6 (0.36) | — | |
| SCHEMBL11757930 | 0.78 | KDM4E (0.32) | — | |
| SCHEMBL522355 | 0.71 | GRM6 (0.37) | — | |
| SCHEMBL11844262 | 0.71 | — | — | |
| SCHEMBL16244892 | 0.69 | GRM6 (0.36) | — | |
| Dacthal SCHEMBL8539721 | 0.69 | CA12 (0.41) | — | |
| SCHEMBL162169 | 0.69 | CA12 (0.41) | — | |
| SCHEMBL2191141 | 0.68 | ALDH1A1 (0.49) | — | |
| SCHEMBL4364573 | 0.68 | DPP4 (0.34) | — | |
| SCHEMBL4899263 | 0.67 | DPP4 (0.43) | — |
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-5580932-A | SOLUTION POLYMERIZATION A MONOMER IN A SOLUBLE POLYMER HAVING DIFFERENT REFRACTIVE INDEX, THEN COAGULATION | KOIKE YASUHIRO (JP) | 1996-12-03 | — | — | US | disclosed |
| US-5542017-A | WAVEGUIDES FOR LIGHT | KOIKE YASUHIRO (JP) | 1996-07-30 | — | — | US | disclosed |
| EP-0559914-A1 | LIGHT-SCATTERING LIGHT GUIDE AND ITS MANUFACTURE, AND APPLIED OPTICS APPARATUS THEREOF | KOIKE, Yasuhiro (JP) | 1993-09-15 | — | — | EP | disclosed |