⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL74028 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL7330517 | 0.97 | — | — | |
| SCHEMBL19099762 | 0.97 | CYP3A4 (0.53) | — | |
| Ethane SCHEMBL4077718 | 0.94 | CYP3A4 (0.50) | — | |
| Propane SCHEMBL10354341 | 0.89 | CYP3A4 (0.45) | — | |
| SCHEMBL8126140 | 0.84 | APP (0.41) | — | |
| SCHEMBL31412921 | 0.79 | ALOX15 (0.36) | — | |
| Ethylbenzene SCHEMBL11271977 | 0.79 | TP53 (0.58) | — | |
| SCHEMBL8233869 | 0.79 | CYP3A4 (0.36) | — | |
| SCHEMBL5328004 | 0.79 | NOS3 (0.43) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116924940-B | Synthesis method of o-iodo-aniline derivative | 信阳师范学院 | 2025-06-03 | — | — | CN | claimed |
| CN-116924940-A | Synthesis method of o-iodo-aniline derivative | 信阳师范学院 | 2023-10-24 | — | — | CN | claimed |
| CN-116924940-B | Synthesis method of o-iodo-aniline derivative | 信阳师范学院 | 2025-06-03 | — | — | CN | disclosed |
| US-20240294482-A1 | METHOD FOR CATALYTICALLY ACTIVATING CARBON DIOXIDE AS CARBONYLATION REAGENT WITH INORGANIC SULFUR | INNER MONGOLIA UNIVERSITY OF TECHNOLOGY (CN) | 2024-09-05 | — | — | US | disclosed |
| CN-116924940-A | Synthesis method of o-iodo-aniline derivative | 信阳师范学院 | 2023-10-24 | — | — | CN | disclosed |
| CN-116924940-A | Synthesis method of o-iodo-aniline derivative | 信阳师范学院 | 2023-10-24 | — | — | CN | disclosed |
| CN-115677711-A | Method for preparing spirocycloxyindole natural product spirotriptatin A | 曲靖师范学院 | 2023-02-03 | — | — | CN | disclosed |