⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29366220 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL15543266 | 0.98 | CLK1 (0.53) | — | |
| Hydrochloric Acid SCHEMBL30144023 | 0.98 | CLK1 (0.53) | — | |
| Trifluoroacetic Acid SCHEMBL15543969 | 0.82 | CLK1 (0.41) | — | |
| SCHEMBL29351455 | 0.81 | — | — | |
| SCHEMBL88904 | 0.81 | — | — | |
| SCHEMBL31580230 | 0.80 | — | — | |
| Isoquinoline SCHEMBL1981810 | 0.80 | HSP90AA1 (0.70) | — | |
| SCHEMBL3233769 | 0.80 | CDK2 (0.49) | — | |
| SCHEMBL28930072 | 0.79 | — | — |
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
Appears in 2148 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4695234-A1 | PYRIDO[3,4-D]PYRIMIDINONE AND PYRIMIDINE ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND USES THEREOF | Allianthera (Suzhou) Biopharmaceutical Co., Ltd. (CN) | 2026-02-18 | — | — | EP | claimed |
| EP-4678634-A1 | ANDROGEN RECEPTOR MODULATORS AND USES THEREOF | Haihe Biopharma Co., Ltd. (CN) | 2026-01-14 | — | — | EP | claimed |
| WO-2025129023-A1 | INDOLE AMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS | RECTIFY PHARMACEUTICALS, INC. (US) | 2025-06-19 | — | — | WO | claimed |
| WO-2024215962-A1 | PYRIDO[3,4-D]PYRIMIDINONE AND PYRIMDIINE ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND USES THEREOF | ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) | 2024-10-17 | — | — | WO | claimed |
| WO-2024183793-A1 | ANDROGEN RECEPTOR MODULATORS AND USES THEREOF | 上海海和药物研究开发股份有限公司 | 2024-09-12 | — | — | WO | claimed |
| EP-3286166-B1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV HEALTHCARE UK NO 5 LTD (GB) | 2020-05-13 | — | — | EP | claimed |
| US-10221129-B2 | Inhibitors of human immunodeficiency virus replication | VIIV Healthcare UK (No.5) Limited (GB) | 2019-03-05 | — | — | US | claimed |
| US-10093678-B2 | Azaspiro derivatives as TRPM8 antagonists | RAQUALIA PHARMA INC. (JP) | 2018-10-09 | — | — | US | claimed |
| US-20180086697-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BRISTOL-MYERS SQUIBB COMPANY | 2018-03-29 | — | — | US | claimed |
| EP-3286166-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV Healthcare UK (No.5) Limited (GB) | 2018-02-28 | — | — | EP | claimed |
| US-20030212097-A1 | Heteroaryl nitriles | ROCHE PALO ALTO LLC | 2003-11-13 | — | — | US | claimed |
| WO-2003048123-A1 | SUBSTITUTED 2-AMINO-CYCLOALKANECARBOXAMIDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-06-12 | — | — | WO | claimed |
| EP-1315491-A2 | METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES | Ortho-McNeil Pharmaceutical, Inc. (US) | 2003-06-04 | — | — | EP | claimed |
| EP-1309591-A2 | SUBSTITUTED PYRAZOLES | Ortho-McNeil Pharmaceutical, Inc. (US) | 2003-05-14 | — | — | EP | claimed |
| EP-1309592-A2 | SUBSTITUTED PYRAZOLES | Ortho-McNeil Pharmaceutical, Inc. (US) | 2003-05-14 | — | — | EP | claimed |
| WO-2002020012-A2 | METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES | ORTHO MCNEIL PHARMACEUTICAL, INC. (US) | 2002-03-14 | — | — | WO | claimed |
| WO-2002014314-A2 | SUBSTITUTED PYRAZOLES | ORTHO MCNEIL PHARMACEUTICAL, INC. (US) | 2002-02-21 | — | — | WO | claimed |
| WO-2002014317-A2 | SUBSTITUTED PYRAZOLES | ORTHO MCNEIL PHARMACEUTICAL, INC. (US) | 2002-02-21 | — | — | WO | claimed |
| EP-0086422-B1 | PHARMACOLOGICALLY ACTIVE PYRAZOLO(4,3-C)PYRIDINES | GRUPPO LEPETIT S.p.A. (IT) | 1987-09-30 | — | — | EP | claimed |
| US-4500525-A | CARDIOTONIC, HYPOTENSIVE, NEUROLEPTIC, ANALGESIC, ANTIINFLAMMATORYAGENTS, AND CENTRAL NERVOUS SYSTEM DEPRESSANTS | GRUPPO LEPETIT S.P.A. (IT) | 1985-02-19 | — | — | US | claimed |