⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2231220 | 0.69 | — | — | |
| SCHEMBL6444433 | 0.69 | — | — | |
| SCHEMBL9602552 | 0.69 | — | — | |
| SCHEMBL901170 | 0.67 | — | — | |
| SCHEMBL29107413 | 0.67 | DNM1 (0.47) | — | |
| SCHEMBL8568433 | 0.66 | — | — | |
| Iodide SCHEMBL28490108 | 0.65 | — | — | |
| SCHEMBL5536187 | 0.65 | OPRM1 (0.55) | — | |
| SCHEMBL8713079 | 0.65 | — | — | |
| SCHEMBL8714297 | 0.65 | — | — |
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-101309896-B | Novel iminecalixarene derivatives and aminocalixarene derivatives, method of preparation thereof, self-assembled monolayer prepared by the method, fixing method of oligo-DNA by using the self-asse, and oligo-DNA chip prepared by the method | BIOMETRIX TECHNOLOGY INC | 2014-07-02 | — | — | CN | disclosed |
| CN-101309896-A | Novel iminecalixarene derivatives and aminocalixarene derivatives, method of preparation thereof, and self-assembled monolayer prepared by the method, fixing method of oligo-dna by using the self-asse | BIOMETRIX TECHNOLOGY INC (KR) | 2008-11-19 | — | — | CN | disclosed |