⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9485834 | 0.79 | CYP1A2 (0.36) | — | |
| SCHEMBL24018928 | 0.76 | — | — | |
| SCHEMBL22725491 | 0.70 | — | — | |
| SCHEMBL10580520 | 0.69 | — | — | |
| SCHEMBL790336 | 0.69 | — | — | |
| SCHEMBL23430435 | 0.67 | — | — | |
| SCHEMBL354008 | 0.67 | — | — | |
| SCHEMBL14245079 | 0.67 | CYP3A4 (0.33) | — | |
| SCHEMBL20283619 | 0.67 | — | — | |
| SCHEMBL6063430 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110366449-B | Catalyst for hydrosilylation, hydrogenation, and hydrosilane reduction | 国立大学法人九州大学 | 2022-10-21 | — | — | CN | disclosed |
| EP-0404619-B1 | PROCESS FOR THE PRODUCTION OF N-MONOALKYL OR ALKENYL ANILINES | RHONE-POULENC CHIMIE (FR) | 1993-09-29 | — | — | EP | disclosed |
| EP-0404619-A1 | Process for the production of n-monoalkyl or alkenyl anilines | RHONE-POULENC CHIMIE (FR) | 1990-12-27 | — | — | EP | disclosed |