⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9631220 | 1.00 | — | — | |
| Water SCHEMBL6511940 | 0.96 | — | — | |
| SCHEMBL1717638 | 0.96 | — | — | |
| SCHEMBL5414413 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL5051984 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL10932576 | 0.92 | — | — | |
| Phosphine SCHEMBL18603257 | 0.92 | — | — | |
| Methoxymethane SCHEMBL148039 | 0.82 | — | — | |
| Methoxymethane SCHEMBL10713896 | 0.82 | — | — | |
| SCHEMBL1796516 | 0.76 | — | — |
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-116528857-A | MALT-1 modulators | 艾克斯赛安西娅人工智能有限公司 | 2023-08-01 | — | — | CN | disclosed |
| CN-108779115-A | Five-membered heteroaromatic ring bridged ring derivative, preparation method thereof and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2018-11-09 | — | — | CN | disclosed |
| US-6881491-B2 | Protective fluoride coatings for aluminum alloy articles | ALCOA INC. (US) | 2005-04-19 | — | — | US | disclosed |
| WO-2004104267-A1 | PROTECTIVE FLUORIDE COATINGS FOR ALUMINUM ALLOY ARTICLES | ALCOA INC. (US) | 2004-12-02 | — | — | WO | disclosed |
| US-20040229071-A1 | Protective fluoride coatings for aluminum alloy articles | ALCOA INC. | 2004-11-18 | — | — | US | disclosed |
| US-6548536-B2 | Agent for inducing apoptosis | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2003-04-15 | — | — | US | disclosed |
| US-20020022598-A1 | Agent for inducing apoptosis | KYOWA HAKKO KOGYO CO., LTD (JP) | 2002-02-21 | — | — | US | disclosed |
| EP-1110960-A1 | APOPTOSIS INDUCING AGENTS | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2001-06-27 | — | — | EP | disclosed |