⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16897 | 1.00 | — | — | |
| SCHEMBL18083 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL17233 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL17496 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL1437127 | 0.98 | — | — | |
| Formaldehyde SCHEMBL29034323 | 0.94 | ARG1 (0.33) | — | |
| SCHEMBL30789344 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL31127811 | 0.85 | — | — | |
| SCHEMBL196539 | 0.84 | — | — | |
| SCHEMBL3225663 | 0.84 | — | — |
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 222 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12486260-B2 | Indazolyl-isoxazole derivatives for the treatment of diseases such as cancer | MERCK PATENT GMBH (DE) | 2025-12-02 | — | — | US | claimed |
| CN-121586717-A | Heteroaryl compounds, process for their preparation and their use in medicine | 江苏恒瑞医药股份有限公司 | 2026-02-27 | — | — | CN | disclosed |
| EP-4680601-A1 | PYRIDAZINE COMPOUNDS, THEIR PREPARATION, AND THEIR THERAPEUTIC USES | Sanofi (FR) | 2026-01-21 | — | — | EP | disclosed |
| US-20250353848-A1 | HETEROCYCLIC PAD4 INHIBITORS | CELGENE CORPORATION | 2025-11-20 | — | — | US | disclosed |
| US-20250353851-A1 | PURINES AND METHODS OF THEIR USE | KINETA INC (US) | 2025-11-20 | — | — | US | disclosed |
| US-20250346592-A1 | HETEROCYCLIC PAD4 INHIBITORS | CELGENE CORPORATION | 2025-11-13 | — | — | US | disclosed |
| EP-4582426-A1 | PAN-KRAS INHIBITOR COMPOUND | Adlai Nortye Biopharma Co., Ltd. (CN) | 2025-07-09 | — | — | EP | disclosed |
| US-20250197375-A1 | PYRIMIDINES AND METHODS OF THEIR USE | Kineta, Inc. | 2025-06-19 | — | — | US | disclosed |
| CN-119855589-A | Heterocyclic PAD4 inhibitors | 细胞基因公司 | 2025-04-18 | — | — | CN | disclosed |
| EP-4531849-A1 | HETEROCYCLIC PAD4 INHIBITORS | CELGENE CORPORATION (US) | 2025-04-09 | — | — | EP | disclosed |
| US-20060217376-A1 | Therapeutic pyrazolo[3,4-b]pyridines and indazoles | WARNER-LAMBERT COMPANY LLC | 2006-09-28 | — | — | US | disclosed |
| US-20060194837-A1 | Tetrahydroisoquinoline compounds | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-08-31 | — | — | US | disclosed |
| WO-2006066197-A1 | TETRAHYDROISOQUINOLINE COMPOUNDS FOR TREATMENT OF CNS DISORDERS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2006-06-22 | — | — | WO | disclosed |
| EP-1664029-A1 | QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS | AstraZeneca AB (SE) | 2006-06-07 | — | — | EP | disclosed |
| US-20060116376-A1 | Therapeutic pyrazolo[3,4-B]pyridines and indazoles | WARNER-LAMBERT COMPANY LLC | 2006-06-01 | — | — | US | disclosed |
| WO-2006056873-A2 | THERAPEUTIC PYRAZOLO[3,4-B] PYRIDINES AND INDAZOLES | WARNER-LAMBERT COMPANY LLC (US) | 2006-06-01 | — | — | WO | disclosed |
| WO-2005026152-A1 | QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS | ASTRAZENECA AB (SE) | 2005-03-24 | — | — | WO | disclosed |
| EP-0972775-B1 | PYRROLOINDOLE DERIVATIVES AND INTERMEDIATES IN PRODUCING THE SAME | KYORIN SEIYAKU KK (JP) | 2004-12-08 | — | — | EP | disclosed |
| US-6080859-A | 1-CHLOROMETHYL, 3-((HETEROARYL OR ARYL)CARBONYL), 5-(HETEROCYCLE-AMINOCARBONYLOXY),7-TRIFLUOROMETHYL, 8-ALKOXYCARBONYL-1,2,3,6-TETRAHYDROPYRROLO(3,2-E)INDOLE OF GIVEN STRUCTURE; ANTITUMOR AND ANTIMICROBIAL ACTIVITY | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 2000-06-27 | — | — | US | disclosed |
| EP-0972775-A1 | PYRROLOINDOLE DERIVATIVES AND INTERMEDIATES IN PRODUCING THE SAME | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 2000-01-19 | — | — | EP | disclosed |