⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15966038 | 0.94 | — | — | |
| SCHEMBL13189560 | 0.92 | — | — | |
| SCHEMBL26818714 | 0.91 | TSHR (0.44) | — | |
| Tetrahydrofuran SCHEMBL10757012 | 0.91 | ALDH1A1 (0.50) | — | |
| N-Methyl Pyrrolidine (Nmp) SCHEMBL28896352 | 0.91 | TSHR (0.42) | — | |
| SCHEMBL14571214 | 0.91 | ALDH1A1 (0.41) | — | |
| SCHEMBL15916854 | 0.90 | PDK1 (0.33) | — | |
| SCHEMBL27480457 | 0.89 | TSHR (0.43) | — | |
| SCHEMBL24202289 | 0.88 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL1260647 | 0.88 | ALDH1A1 (0.47) | — |
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 618 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118515627-A | Continuous synthesis method of deuterated heterocyclic compound and catalyst fixed bed system | 安徽泽升科技股份有限公司 | 2024-08-20 | — | — | CN | claimed |
| CN-118515627-B | Continuous synthesis method of deuterated heterocyclic compound and catalyst fixed bed system | 安徽泽升科技股份有限公司 | 2024-11-26 | — | — | CN | disclosed |
| CN-118515627-A | Continuous synthesis method of deuterated heterocyclic compound and catalyst fixed bed system | 安徽泽升科技股份有限公司 | 2024-08-20 | — | — | CN | disclosed |
| US-20240228509-A1 | MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE | ABBVIE INC (US) | 2024-07-11 | — | — | US | disclosed |
| US-20240228493-A1 | LRRK2 INHIBITORS AND USES THEREOF | NEURON23, INC. | 2024-07-11 | — | — | US | disclosed |
| WO-2024115637-A1 | CD93 INHIBITORS | Universität Bern (CH) | 2024-06-06 | — | — | WO | disclosed |
| WO-2024081363-A1 | COMPOSITION COMPRISING A FIRST RAS INHIBITOR, SECOND RAS INHIBITOR AND A SHP2 INHIBITOR FOR USE IN THE TREATMENT OF CANCER | Revolution Medicines, Inc. (US) | 2024-04-18 | — | — | WO | disclosed |
| WO-2024044667-A2 | SMALL MOLECULE INHIBITORS OF KRAS PROTEINS | MERCK SHARP & DOHME LLC (US) | 2024-02-29 | — | — | WO | disclosed |
| EP-3873903-B1 | SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS AS HPK1 INHIBITORS | GILEAD SCIENCES INC (US) | 2024-01-24 | — | — | EP | disclosed |
| WO-2024015251-A1 | INHIBITORS OF HPK1 AND METHODS OF USE THEREOF | ARCUS BIOSCIENCES, INC. (US) | 2024-01-18 | — | — | WO | disclosed |
| WO-2007039544-A1 | NOVEL C18 MODIFIED RETROSTEROIDS AS PROGESTERONE RECEPTOR MODULATOR COMPOUNDS | SOLVAY PHARMACEUTICALS GMBH (DE) | 2007-04-12 | — | — | WO | disclosed |
| EP-1772454-A1 | NITROGENOUS FUSED BICYCLIC COMPOUND | TANABE SEIYAKU CO., LTD. (JP) | 2007-04-11 | — | — | EP | disclosed |
| US-7196103-B2 | Indole derivatives as factor Xa inhibitors | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2007-03-27 | — | — | US | disclosed |
| WO-2007026959-A2 | DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2007-03-08 | — | — | WO | disclosed |
| US-20070049573-A1 | Pyrrole-Derivatives as Factor Xa Inhibitors | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2007-03-01 | — | — | US | disclosed |
| US-20070049593-A1 | Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor | JAPAN TOBACCO INC. (JP) | 2007-03-01 | — | — | US | disclosed |
| US-20070049593-A1 | Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor | JAPAN TOBACCO INC. (JP) | 2007-03-01 | — | — | US | disclosed |
| WO-2005111013-A1 | SUBSTITUTED THIOPHENE-2-CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND THE USE THEREOF AS DRUGS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-11-24 | — | — | WO | disclosed |
| US-20040116399-A1 | Inhibitors of factor Xa | MILLENNIUM PHARMACEUTICALS, INC. | 2004-06-17 | — | — | US | disclosed |
| US-20040116399-A1 | Inhibitors of factor Xa | MILLENNIUM PHARMACEUTICALS, INC. | 2004-06-17 | — | — | US | disclosed |