⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16741 | 0.87 | — | — | |
| SCHEMBL3667891 | 0.87 | — | — | |
| Methane SCHEMBL7938760 | 0.80 | — | — | |
| SCHEMBL4594980 | 0.80 | — | — | |
| Hydrogen Sulfide SCHEMBL3358284 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL3442206 | 0.80 | — | — | |
| SCHEMBL7901642 | 0.80 | — | — | |
| Hydroxyamine SCHEMBL272868 | 0.80 | — | — | |
| Phosphine SCHEMBL20595760 | 0.80 | — | — | |
| SCHEMBL3358625 | 0.80 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117069592-A | Preparation method for synthesizing isopropyl aniline through solvent-free hydrogenation reduction | 葫芦岛天启晟业化工有限公司 | 2023-11-17 | — | — | CN | disclosed |
| WO-2023192384-A1 | TETRAZINE-DERIVED LINKERS FOR SINGLE GUIDE RNAS | UNIVERSITY OF MASSACHUSETTS (US) | 2023-10-05 | — | — | WO | disclosed |
| EP-0327875-B1 | PROCESS FOR THE PREPARATION OF N-ALKYL ANILINE | BAYER AG (DE) | 1993-03-24 | — | — | EP | disclosed |
| US-5196328-A | Modified cloning vectors for restriction mapping, their preparation and use | INSTITUTE FOR CANCER RESEARCH (US) | 1993-03-23 | — | — | US | disclosed |
| EP-0327875-A1 | Process for the preparation of N-alkyl aniline | BAYER AG (DE) | 1989-08-16 | — | — | EP | disclosed |