⚠ 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 | |
|---|---|---|---|---|
| Acetone SCHEMBL736609 | 1.00 | LMNA (0.86) | — | |
| Acetone SCHEMBL5702367 | 1.00 | — | — | |
| Acetone SCHEMBL3698099 | 1.00 | — | — | |
| Acetone SCHEMBL5177334 | 1.00 | LMNA (0.86) | — | |
| Acetone SCHEMBL10799013 | 1.00 | LMNA (0.86) | — | |
| Acetone SCHEMBL28504958 | 0.94 | — | — | |
| Acetone SCHEMBL27682213 | 0.94 | — | — | |
| Acetone SCHEMBL11612005 | 0.94 | LMNA (0.75) | — | |
| Acetone SCHEMBL3767810 | 0.94 | — | — | |
| Acetone SCHEMBL11640815 | 0.94 | LMNA (0.75) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118125394-A | Method for synthesizing hydrazine hydrate by using ketazine | 新疆新仁谦实集团管理有限公司 | 2024-06-04 | — | — | CN | disclosed |
| CN-108525168-B | Foam generating method and application thereof and fire extinguishing method | 中国石油化工股份有限公司 | 2021-05-28 | — | — | CN | disclosed |
| CN-105820109-B | Triacetonediamine compound is synthesized by the reductive amination process based on triacetonediamine and its derivative | 赢创德固赛有限公司 | 2019-11-22 | — | — | CN | disclosed |
| US-5741903-A | ACIDIFICATION THE AMINE SALT; RECOVERING PURIFIED CLAVULANIC ACID | GIST-BROCADES N.V. (DE) | 1998-04-21 | — | — | US | disclosed |
| US-5719277-A | CHEMICAL INTERMEDIATE | GIST-BROCADES N.V. (NL) | 1998-02-17 | — | — | US | disclosed |
| US-5679793-A | ANHYDROUS SOLUTION REACTION OF A DIHYDROXYKETONE OR AN ACYLOIN WITH AN AMMONIUM SALT; FLAVORING INGREDIENTS | FIRMENICH SA (CH) | 1997-10-21 | — | — | US | disclosed |
| US-5449657-A | Sulfonyl (thio)ureas | NEW OJI PAPER CO., LTD. (JP) | 1995-09-12 | — | — | US | disclosed |
| US-5424377-A | Process to prevent scale adhesion using condensation product of aromatic amine and a quinone | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1995-06-13 | — | — | US | disclosed |