⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6647774 | 0.79 | GAA (0.57) | — | |
| SCHEMBL6708068 | 0.79 | GAA (0.57) | — | |
| SCHEMBL6082087 | 0.79 | DGKA (0.34) | — | |
| SCHEMBL18328192 | 0.78 | ATM (0.52) | — | |
| SCHEMBL82647 | 0.77 | — | — | |
| SCHEMBL1986853 | 0.77 | — | — | |
| SCHEMBL8972782 | 0.77 | — | — | |
| SCHEMBL11719772 | 0.76 | — | — | |
| SCHEMBL5959111 | 0.75 | NAAA (0.41) | — | |
| SCHEMBL9800037 | 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5583235-A | ALKENYLATION, CYCLIZATION | SHAMAN PHARMACEUTICALS, INC. (US) | 1996-12-10 | — | — | US | claimed |
| CN-118924913-A | Novel camptothecin analogue ligand-drug conjugate, intermediate, pharmaceutical composition and application thereof | 上海盟科药业股份有限公司 | 2024-11-12 | — | — | CN | disclosed |
| CN-113840603-B | Pyrimidine five-membered nitrogen heterocyclic derivative, preparation method and medical application thereof | 上海拓界生物医药科技有限公司 | 2024-08-13 | — | — | CN | disclosed |
| CN-116669734-A | Crystal form of pyrimido five-membered nitrogen heterocyclic derivative and preparation method thereof | 江苏恒瑞医药股份有限公司 | 2023-08-29 | — | — | CN | disclosed |
| US-20220380385-A1 | PYRIMIDINE FIVE-MEMBERED NITROGEN HETEROCYCLIC DERIVATIVE, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF | TUOJIE BIOTECH(SHANGHAI) CO., LTD. (CN) | 2022-12-01 | — | — | US | disclosed |
| WO-2022135568-A1 | CRYSTAL FORM OF PYRIMIDO FIVE-MEMBERED NITROGEN HETEROCYCLIC DERIVATIVE AND PREPARATION METHOD THEREFOR | 江苏恒瑞医药股份有限公司 | 2022-06-30 | — | — | WO | disclosed |
| EP-3991731-A1 | PYRIMIDINE FIVE-MEMBERED NITROGEN HETEROCYCLIC DERIVATIVE, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF | Tuojie Biotech (Shanghai) Co., Ltd. (CN) | 2022-05-04 | — | — | EP | disclosed |
| US-20120244182-A1 | USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2012-09-27 | — | — | US | disclosed |
| EP-1594524-B1 | USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION | NOVARTIS VACCINES & DIAGNOSTIC (US) | 2012-08-15 | — | — | EP | disclosed |
| US-8193185-B2 | Administering a tryptanthrin compound, e.g., 8-nitroindolo[2,1-b]quinazoline-6,12-dione, to potentiate the immune response to an antigen; immunostimulants; small molecule immune potentiators; immunotherapy for infectious diseases; anticarcinogenic agents; vaccine adjuvant compositions and kits | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2012-06-05 | — | — | US | disclosed |
| EP-0429464-B1 | BIVALENT LIGANDS EFFECTIVE FOR BLOCKING ACAT ENZYME | UPJOHN CO (US) | 1994-11-23 | — | — | EP | disclosed |
| US-5304548-A | Tether composition joining two furochromones | THE UPJOHN COMPANY (US) | 1994-04-19 | — | — | US | disclosed |
| EP-0525123-A1 | ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES. | UPJOHN CO (US) | 1993-02-03 | — | — | EP | disclosed |
| US-5180717-A | Atherosclerosis treatment and antilipemic agents | THE UPJOHN COMPANY (US) | 1993-01-19 | — | — | US | disclosed |
| WO-1991019707-A2 | ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES | THE UPJOHN COMPANY (US) | 1991-12-26 | — | — | WO | disclosed |
| EP-0459983-A1 | ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES | PHARMACIA & UPJOHN COMPANY (US) | 1991-12-11 | — | — | EP | disclosed |
| EP-0429464-A1 | BIVALENT LIGANDS EFFECTIVE FOR BLOCKING ACAT ENZYME. | UPJOHN CO (US) | 1991-06-05 | — | — | EP | disclosed |
| WO-1990006921-A1 | ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES | THE UPJOHN COMPANY (US) | 1990-06-28 | — | — | WO | disclosed |
| WO-1990002129-A1 | BIVALENT LIGANDS EFFECTIVE FOR BLOCKING ACAT ENZYME | THE UPJOHN COMPANY (US) | 1990-03-08 | — | — | WO | disclosed |
| US-4067988-A | 3-Phenyl-1,2,4-oxadiazole derivatives as antiinflammatory-antitussive agents | LABORATOIRES CASSENNE (FR) | 1978-01-10 | — | — | US | disclosed |