⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25083482 | 0.91 | LMNA (0.35) | — | |
| SCHEMBL1204897 | 0.84 | CA12 (0.41) | — | |
| SCHEMBL10212062 | 0.84 | CA12 (0.46) | — | |
| SCHEMBL12436582 | 0.82 | — | — | |
| SCHEMBL1079107 | 0.81 | — | — | |
| SCHEMBL2989955 | 0.81 | — | — | |
| SCHEMBL17526685 | 0.79 | ALDH1A1 (0.37) | — | |
| SCHEMBL17526693 | 0.79 | ALDH1A1 (0.37) | — | |
| SCHEMBL10764759 | 0.79 | ALDH1A1 (0.58) | — | |
| SCHEMBL12555548 | 0.79 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170176863-A1 | Hydrophilic Photoresist, Patterning Method of Quantum Dot Layer and Quantum Dot Light-Emitting Diode | BOE TECHNOLOGY GROUP CO., LTD. (CN) | 2017-06-22 | — | — | US | disclosed |
| WO-2016015803-A1 | LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT | MERCK PATENT GMBH (DE) | 2016-02-04 | — | — | WO | disclosed |