⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11458346 | 0.97 | — | — | |
| SCHEMBL59378 | 0.77 | SLC6A2 (0.32) | — | |
| SCHEMBL28717844 | 0.74 | LMNA (0.32) | — | |
| SCHEMBL29280275 | 0.73 | LMNA (0.31) | — | |
| SCHEMBL27412593 | 0.72 | LMNA (0.32) | — | |
| SCHEMBL16163535 | 0.69 | SLC6A2 (0.33) | — | |
| SCHEMBL27699094 | 0.69 | SLC6A2 (0.33) | — | |
| SCHEMBL4426108 | 0.69 | HCAR2 (0.35) | — | |
| SCHEMBL793523 | 0.69 | HCAR2 (0.35) | — | |
| SCHEMBL29012927 | 0.69 | LMNA (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113454187-A | Biologically available chiral dopants for liquid crystal applications | 齐默尔根公司 | 2021-09-28 | — | — | CN | disclosed |
| EP-0449015-B1 | Difluoromethyl compounds and liquid criystal medium | MERCK PATENT GMBH (DE) | 1998-07-01 | — | — | EP | disclosed |