⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL109415 | 0.97 | — | — | |
| SCHEMBL14086812 | 0.97 | FKBP5 (0.43) | — | |
| SCHEMBL3927250 | 0.97 | — | — | |
| SCHEMBL88730 | 0.90 | — | — | |
| Lithium SCHEMBL31009363 | 0.88 | — | — | |
| Benzene SCHEMBL28780885 | 0.82 | OR51E2 (0.38) | — | |
| SCHEMBL89324 | 0.75 | — | — | |
| SCHEMBL1786555 | 0.71 | — | — | |
| SCHEMBL9629601 | 0.71 | — | — | |
| SCHEMBL518177 | 0.69 | — | — |
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 199 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115445636-B | Monoatomic dispersed palladium-based catalyst and preparation method and application thereof | 中国科学院大连化学物理研究所 | 2023-12-12 | — | — | CN | claimed |
| CN-115466177-A | Method for preparing 1, 4-diacetyloxy-2-butene | 中国科学院大连化学物理研究所 | 2022-12-13 | — | — | CN | claimed |
| CN-115445636-A | Monoatomic dispersed palladium-based catalyst, and preparation method and application thereof | 中国科学院大连化学物理研究所 | 2022-12-09 | — | — | CN | claimed |
| US-20090104116-A1 | COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | JERINI AG (DE) | 2009-04-23 | — | — | US | claimed |
| EP-1979342-A1 | COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | Jerini AG (DE) | 2008-10-15 | — | — | EP | claimed |
| WO-2007088041-A1 | COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | JERINI AG (DE) | 2007-08-09 | — | — | WO | claimed |
| CN-115466177-B | Method for preparing 1, 4-diacetoxy-2-butene | 中国科学院大连化学物理研究所 | 2024-02-02 | — | — | CN | disclosed |
| CN-115445636-B | Monoatomic dispersed palladium-based catalyst and preparation method and application thereof | 中国科学院大连化学物理研究所 | 2023-12-12 | — | — | CN | disclosed |
| CN-112142586-B | Ketone or oxime compounds and herbicides | 日产化学株式会社 | 2023-05-09 | — | — | CN | disclosed |
| US-11530181-B2 | IL-6 inhibitors and methods of treatment | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) | 2022-12-20 | — | — | US | disclosed |
| WO-2022257025-A1 | MONATOMICALLY DISPERSED PALLADIUM-BASED CATALYST, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 中国科学院大连化学物理研究所 | 2022-12-15 | — | — | WO | disclosed |
| CN-115466177-A | Method for preparing 1, 4-diacetyloxy-2-butene | 中国科学院大连化学物理研究所 | 2022-12-13 | — | — | CN | disclosed |
| CN-115445636-A | Monoatomic dispersed palladium-based catalyst, and preparation method and application thereof | 中国科学院大连化学物理研究所 | 2022-12-09 | — | — | CN | disclosed |
| US-4370477-A | ANTIULCER AGENT | JOHN WYETH AND BROTHER LIMITED (GB) | 1983-01-25 | — | — | US | disclosed |
| US-4325952-A | Method of treating abstinence syndrome with cycloaklyltriazoles | AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO (IT) | 1982-04-20 | — | — | US | disclosed |
| US-4307096-A | Method of treating glaucoma with cycloalkyltriazoles | AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) | 1981-12-22 | — | — | US | disclosed |
| US-4307095-A | PSYCHOTHERAPY AND ANTIGLAUCOMA AGENTS | AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) | 1981-12-22 | — | — | US | disclosed |
| US-4304781-A | Treatment of ulcers and hypertension | JOHN WYETH & BROTHER LIMITED (GB) | 1981-12-08 | — | — | US | disclosed |
| US-4252721-A | ANTIGLAUCOMIC AND ANTIPSYCHOTIC AGENTS | AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) | 1981-02-24 | — | — | US | disclosed |
| US-3945984-A | Preparing polyamides by anionic polymerization of lactams | CCESKOSLOVENSKA AKADEMIE VED (CS) | 1976-03-23 | — | — | US | disclosed |