⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL849818 | 0.98 | — | — | |
| Bromide SCHEMBL8605247 | 0.98 | — | — | |
| 4-Isothioureidobutyronitrile SCHEMBL20607675 | 0.91 | CYP1A2 (0.50) | — | |
| 4-Isothioureidobutyronitrile SCHEMBL851495 | 0.86 | — | — | |
| 4-Isothioureidobutyronitrile SCHEMBL851612 | 0.84 | CYP1A2 (0.52) | — | |
| SCHEMBL859948 | 0.84 | CYP1A2 (0.52) | — | |
| Hydrochloric Acid SCHEMBL850423 | 0.82 | CYP1A2 (0.50) | — | |
| SCHEMBL860625 | 0.82 | CYP1A2 (0.50) | — | |
| Hydrochloric Acid SCHEMBL860518 | 0.81 | ALDH1A1 (0.48) | — | |
| SCHEMBL26315972 | 0.79 | CYP1A2 (0.63) | — |
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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| CN-102438612-A | Nitrile derivatives, their pharmaceutical use and compositions | CELLCEUTIX CORP | 2012-05-02 | — | — | CN | 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 |
| WO-1998040368-A1 | SYNTHESIS OF THIAZOLE DERIVATIVES | ALBEMARLE CORPORATION (US) | 1998-09-17 | — | — | WO | claimed |
| US-5731442-A | Synthesis of thiazole derivatives | ALBEMARLE CORPORATION (US) | 1998-03-24 | — | — | US | claimed |
| EP-3018125-B1 | NOVEL COMPOUND, ORGANIC CATION TRANSPORTER 3 DETECTION AGENT, AND ORGANIC CATION TRANSPORTER 3 ACTIVITY INHIBITOR | SHIN NIPPON BIOMEDICAL LABORATORIES LTD (JP) | 2020-08-05 | — | — | EP | disclosed |
| EP-2432464-B1 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | INNOVATION PHARMACEUTICALS INC (US) | 2019-01-09 | — | — | EP | disclosed |
| US-9745274-B2 | Compound, organic cation transporter 3 detection agent, and organic cation transporter 3 activity inhibitor | SHIN NIPPON BIOMEDICAL LABORATORIES, LTD. (JP) | 2017-08-29 | — | — | US | disclosed |
| US-9745274-B2 | Compound, organic cation transporter 3 detection agent, and organic cation transporter 3 activity inhibitor | SHIN NIPPON BIOMEDICAL LABORATORIES, LTD. (JP) | 2017-08-29 | — | — | US | disclosed |
| WO-1998040368-A1 | SYNTHESIS OF THIAZOLE DERIVATIVES | ALBEMARLE CORPORATION (US) | 1998-09-17 | — | — | WO | disclosed |
| US-5731442-A | Synthesis of thiazole derivatives | ALBEMARLE CORPORATION (US) | 1998-03-24 | — | — | US | disclosed |
| US-5731442-A | Synthesis of thiazole derivatives | ALBEMARLE CORPORATION (US) | 1998-03-24 | — | — | US | disclosed |
| US-4942243-A | Process for preparing N\"-[4-[[(2-cyanoethyl)thio]methyl]-2-thiazolyl]guanidine | HANIL PHARMACEUTICAL IND., CO., LTD. (KR) | 1990-07-17 | — | — | US | disclosed |