⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2088827 | 0.82 | — | — | |
| SCHEMBL2088513 | 0.77 | TSHR (0.31) | — | |
| SCHEMBL6046194 | 0.70 | TYMP (0.32) | — | |
| SCHEMBL266246 | 0.68 | — | — | |
| SCHEMBL9414263 | 0.63 | — | — | |
| SCHEMBL4899627 | 0.62 | — | — | |
| SCHEMBL2002388 | 0.62 | — | — | |
| SCHEMBL15380711 | 0.62 | — | — | |
| SCHEMBL5535983 | 0.59 | — | — | |
| Alcohol SCHEMBL4319598 | 0.59 | ALDH1A1 (0.30) | — |
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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024104425-A1 | KRAS INHIBITOR COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | 广东东阳光药业股份有限公司 | 2024-05-23 | — | — | WO | claimed |
| CN-118047801-A | KRAS inhibitor compound, pharmaceutical composition and application thereof | 广东东阳光药业股份有限公司 | 2024-05-17 | — | — | CN | claimed |
| US-5252732-A | D-heteroaryl, O-alkylheteroaryl, O-alkenylheteroaryl and O-alkynylheteroarylmacrolides having immunosuppressive activity | MERCK & CO., INC. (US) | 1993-10-12 | — | — | US | claimed |
| WO-2024121086-A1 | NOVEL COMPOUNDS AS MODULATORS OF NLRP3 INHIBITION | F. HOFFMANN-LA ROCHE AG (CH) | 2024-06-13 | — | — | WO | disclosed |
| WO-2024104425-A1 | KRAS INHIBITOR COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | 广东东阳光药业股份有限公司 | 2024-05-23 | — | — | WO | disclosed |
| CN-118047801-A | KRAS inhibitor compound, pharmaceutical composition and application thereof | 广东东阳光药业股份有限公司 | 2024-05-17 | — | — | CN | disclosed |
| US-11213031-B2 | Tetrazolylpropyl derivatives and their use as fungicides | BAYER AKTIENGESELLSCHAFT (DE) | 2022-01-04 | — | — | US | disclosed |
| US-11213031-B2 | Tetrazolylpropyl derivatives and their use as fungicides | BAYER AKTIENGESELLSCHAFT (DE) | 2022-01-04 | — | — | US | disclosed |
| US-11213031-B2 | Tetrazolylpropyl derivatives and their use as fungicides | BAYER AKTIENGESELLSCHAFT (DE) | 2022-01-04 | — | — | US | disclosed |
| EP-3710432-A1 | TETRAZOLYLPROPYL DERIVATIVES AND THEIR USE AS FUNGICIDES | Bayer Aktiengesellschaft (DE) | 2020-09-23 | — | — | EP | disclosed |
| EP-3710432-A1 | TETRAZOLYLPROPYL DERIVATIVES AND THEIR USE AS FUNGICIDES | Bayer Aktiengesellschaft (DE) | 2020-09-23 | — | — | EP | disclosed |
| US-6734208-B2 | ADJUSTMENT TRANSFORMING GROWTH FACTOR CONCENTRATION; ANTIINFLAMMATORY AGENTS | NEORX CORPORATION | 2004-05-11 | — | — | US | disclosed |
| US-20030064970-A1 | Compounds and therapies for the prevention of vascular and non-vascular pathologies | NEORX CORPORATION | 2003-04-03 | — | — | US | disclosed |
| US-6117911-A | ADMINISTRATION OF AT LEAST ONE THERAPEUTIC AGENT THAT ELEVATES THE LEVEL OF TGF-BETA IN SAID MAMMAL. | NEORX CORPORATION (US) | 2000-09-12 | — | — | US | disclosed |
| WO-1998046588-A2 | COMPOUNDS AND THERAPIES FOR THE PREVENTION OF VASCULAR AND NON-VASCULAR PATHOLOGIES | NEORX CORPORATION (US) | 1998-10-22 | — | — | WO | disclosed |
| EP-0624584-B1 | Piperazine derivatives useful as calmodulin inhibitors | DAIICHI SEIYAKU CO (JP) | 1998-08-19 | — | — | EP | disclosed |
| US-5681954-A | HAS CALMODULIN INHIBITORY ACTIVITY; USEFUL IN TREATING DISEASES OF THE CIRCULATORY ORGANS OR IN CEREBRAL REGION | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1997-10-28 | — | — | US | disclosed |
| EP-0624584-A1 | Piperazine derivatives useful as calmodolin inhibitors | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1994-11-17 | — | — | EP | disclosed |
| US-5349061-A | O-heteroaryl, O-alkylheteroaryl, O-alkenylheteroaryl and O-alkynylheteroarylmacrolides having immunosuppressive activity | MERCK & CO., INC. (US) | 1994-09-20 | — | — | US | disclosed |
| US-5252732-A | D-heteroaryl, O-alkylheteroaryl, O-alkenylheteroaryl and O-alkynylheteroarylmacrolides having immunosuppressive activity | MERCK & CO., INC. (US) | 1993-10-12 | — | — | US | disclosed |