⚠ 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 | |
|---|---|---|---|---|
| 4-Isothioureidobutyronitrile SCHEMBL851612 | 0.98 | CYP1A2 (0.52) | — | |
| 4-Isothioureidobutyronitrile SCHEMBL20607675 | 0.96 | CYP1A2 (0.50) | — | |
| SCHEMBL859948 | 0.93 | CYP1A2 (0.52) | — | |
| Hydrochloric Acid SCHEMBL850423 | 0.91 | CYP1A2 (0.50) | — | |
| SCHEMBL860625 | 0.91 | CYP1A2 (0.50) | — | |
| Hydrochloric Acid SCHEMBL860518 | 0.90 | ALDH1A1 (0.48) | — | |
| SCHEMBL851824 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL849818 | 0.84 | — | — | |
| Bromide SCHEMBL8605247 | 0.84 | — | — | |
| SCHEMBL26315979 | 0.77 | CYP1A2 (0.54) | — |
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 598 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250381202-A1 | PRODRUG KIT FOR MULTI-PRONGED CHEMOTHERAPY | ZOUNEK ALEX (DE) | 2025-12-18 | — | — | US | claimed |
| US-20250345322-A1 | NOVEL COMBINATION THERAPY OF CRENOLANIB AND APOPTOSIS PATHWAY AGENTS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS | AROG PHARMACEUTICALS INC (US) | 2025-11-13 | — | — | US | claimed |
| EP-4551565-A1 | PRODRUG KIT FOR MULTI-PRONGED CHEMOTHERAPY | Zounek, Alex (DE) | 2025-05-14 | — | — | EP | claimed |
| US-20250041294-A1 | Synergistic compositions for use in the treatment of cancer | SARTAR THERAPEUTICS OY (FI) | 2025-02-06 | — | — | US | claimed |
| US-20240398831-A1 | COMPOSITIONS COMPRISING SMALL MOLECULE REGULATORS OF TUMOR IMMUNITY AND METHODS OF USING SAME | UNITED STATES GOVERNMENT | 2024-12-05 | — | — | US | claimed |
| EP-4444314-A1 | SYNERGISTIC COMPOSITIONS FOR USE IN THE TREATMENT OF CANCER | Sartar Therapeutics Oy (FI) | 2024-10-16 | — | — | EP | claimed |
| EP-4424327-A1 | METHOD OR AGENT WITH HDAC REGULATOR, FOR TREATMENT OF DIABETES AND COMPLICATIONS | Biozipcode, Inc. (JP) | 2024-09-04 | — | — | EP | claimed |
| EP-4412649-A1 | COMPOSITIONS COMPRISING SMALL MOLECULE REGULATORS OF TUMOR IMMUNITY AND METHODS OF USING SAME | Duke University (US) | 2024-08-14 | — | — | EP | claimed |
| CN-118354773-A | Synergistic composition for the treatment of cancer | 萨达治疗公司 | 2024-07-16 | — | — | CN | claimed |
| US-20240226088-A1 | NOVEL COMBINATION THERAPY OF CRENOLANIB AND APOPTOSIS PATHWAY AGENTS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS | AROG PHARMACEUTICALS, INC. | 2024-07-11 | — | — | US | claimed |
| EP-3969050-A1 | ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS | Nuvation Bio Inc. (US) | 2022-03-23 | — | — | EP | claimed |
| EP-2432464-B1 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | INNOVATION PHARMACEUTICALS INC (US) | 2019-01-09 | — | — | EP | claimed |
| US-9610275-B2 | Nitrile derivatives and their pharmaceutical use and compositions | CELLCEUTIX CORPORATION (US) | 2017-04-04 | — | — | US | claimed |
| CN-102438612-B | Nitrile derivatives, their pharmaceutical use and compositions | CELLCEUTIX CORP. (US) | 2016-02-03 | — | — | CN | claimed |
| US-20130245062-A1 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | CELLCEUTIX CORPORATION (US) | 2013-09-19 | — | — | US | claimed |
| US-8338454-B2 | Nitrile derivatives and their pharmaceutical use and compositions | CELLCEUTIX CORPORATION (US) | 2012-12-25 | — | — | US | claimed |
| US-20120189537-A1 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | CELLCEUTIX CORPORATION | 2012-07-26 | — | — | US | claimed |
| EP-2432464-A2 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | Cellceutix Corporation (US) | 2012-03-28 | — | — | EP | claimed |
| US-20100298374-A1 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | CELLCEUTIX CORPORATION (US) | 2010-11-25 | — | — | US | claimed |
| WO-2010135170-A2 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | CELLCEUTIX CORPORATION (US) | 2010-11-25 | — | — | WO | claimed |