⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6607186 | 0.88 | SLC6A3 (0.39) | — | |
| SCHEMBL2743225 | 0.88 | — | — | |
| SCHEMBL10129328 | 0.85 | SLC6A3 (0.42) | — | |
| SCHEMBL23570011 | 0.81 | — | — | |
| SCHEMBL13900941 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL30911735 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL30911818 | 0.79 | — | — | |
| SCHEMBL23555032 | 0.79 | — | — | |
| SCHEMBL17012736 | 0.77 | — | — | |
| SCHEMBL21651974 | 0.75 | KDM4E (0.33) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4322954-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT | Merck Sharp & Dohme LLC (US) | 2024-02-21 | — | — | EP | disclosed |
| WO-2024015864-A1 | CBL-B INHIBITORS AND ANTI-PD1/ANTI-PD-L1 FOR USE IN THE TREATMENT OF CANCER | HOTSPOT THERAPEUTICS, INC. (US) | 2024-01-18 | — | — | WO | disclosed |
| WO-2023159087-A1 | QUINAZOLINE COMPOUNDS AND USE THEREOF AS INHIBTORS OF MUTANT KRAS PROTEINS | AMGEN INC. (US) | 2023-08-24 | — | — | WO | disclosed |
| US-20230242552-A1 | Nitrogen-Containing Heterocyclic Compound, Preparation Method Therefor and Use Thereof | 280 Bio, Inc (US) | 2023-08-03 | — | — | US | disclosed |
| US-20230109839-A1 | THERAPEUTIC AGENT FOR TAUOPATHIES | Sumitomo Pharma Co., Ltd. (JP) | 2023-04-13 | — | — | US | disclosed |
| WO-2022250170-A9 | SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2023-01-05 | — | — | WO | disclosed |
| EP-4104861-A1 | THERAPEUTIC AGENT FOR TAUOPATHIES | Sumitomo Pharma Co., Ltd. (JP) | 2022-12-21 | — | — | EP | disclosed |
| WO-2022258044-A1 | PYRROLOPYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 杭州中美华东制药有限公司 | 2022-12-15 | — | — | WO | disclosed |
| WO-2022221739-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT | MERCK SHARP & DOHME CORP. (US) | 2022-10-20 | — | — | WO | disclosed |
| WO-2022148422-A1 | BRIDGED COMPOUNDS AS KRAS G12D INHIBITOR AND DEGRADER AND THE USE THEREOF | BEIGENE, LTD. (KY) | 2022-07-14 | — | — | WO | disclosed |
| EP-3380474-B1 | JANUS KINASES INHIBITORS, COMPOSITIONS THEREOF AND USE THEREOF | HOFFMANN LA ROCHE (CH) | 2019-08-21 | — | — | EP | disclosed |
| WO-2017089390-A1 | JANUS KINASES INHIBITORS, COMPOSITIONS THEREOF AND USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2017-06-01 | — | — | WO | disclosed |
| US-8674113-B2 | Compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-03-18 | — | — | US | disclosed |
| US-8674113-B2 | Compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-03-18 | — | — | US | disclosed |
| US-20120149676-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-14 | — | — | US | disclosed |
| US-20120149676-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-14 | — | — | US | disclosed |
| WO-2012076673-A1 | 6-AMINO-2-PHENYLAMINO-1H-BENZIMIDAZOLE-5-CARBOXAMIDE- DERIVATIVES AND THEIR USE AS MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-14 | — | — | WO | disclosed |