⚠ 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 | |
|---|---|---|---|---|
| Chloroform SCHEMBL263740 | 0.80 | — | — | |
| Acetonitrile SCHEMBL59423 | 0.78 | — | — | |
| Acetonitrile SCHEMBL31357011 | 0.78 | — | — | |
| Acetonitrile SCHEMBL3701719 | 0.78 | — | — | |
| Acetonitrile SCHEMBL30662442 | 0.74 | — | — | |
| Acetonitrile SCHEMBL30662445 | 0.74 | — | — | |
| Acetonitrile SCHEMBL4020626 | 0.70 | — | — | |
| Acetonitrile SCHEMBL10523138 | 0.68 | — | — | |
| Acetonitrile SCHEMBL1330624 | 0.68 | — | — | |
| Acetonitrile SCHEMBL2562219 | 0.68 | TSHR (0.36) | — |
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 823 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013012817-A1 | METHODS AND COMPOSITIONS FOR DRYING IN THE PREPARATION OF RADIOPHARMACEUTICALS | CARDINAL HEALTH 414, LLC (US) | 2013-01-24 | — | — | WO | claimed |
| US-20130022525-A1 | METHODS AND COMPOSITIONS FOR DRYING IN THE PREPARATION OF RADIOPHARMACEUTICALS | CARDINAL HEALTH 414, LLC | 2013-01-24 | — | — | US | claimed |
| CN-101511264-A | Hyperpolarization methods, systems and compositions | AVRUM BELZER (US) | 2009-08-19 | — | — | CN | claimed |
| EP-4590675-B1 | HETEROCYCLIC SIK INHIBITORS | PFIZER (US) | 2026-05-27 | — | — | EP | disclosed |
| EP-4688781-A1 | METHODS AND REAGENTS FOR SYNTHESIZING HALOALDEHYDES, AND USES THEREOF | Simon Fraser University (CA) | 2026-02-11 | — | — | EP | disclosed |
| EP-4688750-A1 | SUBSTITUTED INDAZOLE PROPIONIC ACID DERIVATIVE COMPOUNDS AND USES THEREOF AS AMPK ACTIVATORS | Pfizer Inc. (US) | 2026-02-11 | — | — | EP | disclosed |
| EP-4677084-A1 | MODIFIED SHORT INERFERING NUCLEIC ACID (SINA) MOLECULES AND USES THEREOF | Aligos Therapeutics, Inc. (US) | 2026-01-14 | — | — | EP | disclosed |
| US-20250346610-A1 | SUBSTITUTED PYRIDO[4,3-d]PYRIMIDINES AS KRAS MODULATORS | ALTEROME THERAPEUTICS INC (US) | 2025-11-13 | — | — | US | disclosed |
| US-12466842-B2 | Substituted pyrido [4,3-d]pyrimidines as KRAS modulators | ALTEROME THERAPEUTICS, INC. (US) | 2025-11-11 | — | — | US | disclosed |
| US-20250340563-A1 | FUSED PYRIDAZINE DERIVATIVES AS NLRP3 INHIBITORS | TAKEDA DEVELOPMENT CENTER AMERICAS, INC. | 2025-11-06 | — | — | US | disclosed |
| EP-4631955-A1 | PURIFICATION METHOD AND PRODUCTION METHOD OF CYCLIC PEPTIDE | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2025-10-15 | — | — | EP | disclosed |
| US-5189177-A | Chiral boron catalysts for reduction of ketones and process for their preparation | MERCK & CO., INC. (US) | 1993-02-23 | — | — | US | disclosed |
| US-5096924-A | Antitumor agent; isochromene derivative | 501 AZIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) | 1992-03-17 | — | — | US | disclosed |
| EP-0453298-A2 | Chiral catalysts for reduction of ketones and process for their preparation | MERCK & CO. INC. (US) | 1991-10-23 | — | — | EP | disclosed |
| US-5039802-A | Arylation process for preparation of chiral catalysts for ketone reduction | MERCK & CO., INC. (US) | 1991-08-13 | — | — | US | disclosed |
| EP-0401138-A2 | New anticancer antibiotic substance, the production and uses thereof | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) | 1990-12-05 | — | — | EP | disclosed |
| US-4826834-A | BACTERICIDES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1989-05-02 | — | — | US | disclosed |
| EP-0216385-A2 | Antibacterial compounds | Takeda Chemical Industries, Ltd. (JP) | 1987-04-01 | — | — | EP | disclosed |
| CN-85100249-A | The copper of the organoboron compound of boracic copper-63 spectral analysis of the nuclear magnetic resonance method | — | 1986-07-09 | — | — | CN | disclosed |
| US-4464299-A | Antibacterial carbapenem compounds | SHIONOGI & CO., LTD. (JP) | 1984-08-07 | — | — | US | disclosed |