⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13345008 | 0.78 | — | — | |
| SCHEMBL9930328 | 0.72 | — | — | |
| Tert-Butanol SCHEMBL788666 | 0.72 | ALDH1A1 (0.46) | — | |
| SCHEMBL95726 | 0.72 | — | — | |
| Tert-Butanol SCHEMBL282 | 0.72 | — | — | |
| Tert-Butanol SCHEMBL3628777 | 0.72 | — | — | |
| Tert-Butanol SCHEMBL20503401 | 0.72 | ALDH1A1 (0.46) | — | |
| SCHEMBL39492 | 0.72 | — | — | |
| SCHEMBL268902 | 0.71 | — | — | |
| Tert-Butanol SCHEMBL25297067 | 0.67 | ALDH1A1 (0.42) | — |
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
Appears in 9748 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12540131-B2 | N-(heteroaryl) quinazolin-2-amine derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof | MERCK SHARP & DOHME LLC (US) | 2026-02-03 | — | — | US | claimed |
| EP-4176863-B1 | HIGH EFFICIENCY, NON-SILICA, SHELF STABLE DENTAL ETCHING GEL | VOCO GMBH (DE) | 2025-12-17 | — | — | EP | claimed |
| EP-4081521-B1 | SUBSTITUTED TRICYCLIC COMPOUNDS | LUPIN LTD (IN) | 2025-12-10 | — | — | EP | claimed |
| EP-4638540-A1 | A METHOD FOR PREPARING A SILANISED POLYURETHANE PREPOLYMER, ITS USE AND A METHOD FOR PRODUCING A MOISTURE-CURED SILANISED ONE-COMPONENT FOAM | PCC ROKITA Spolka Akcyjna (PL) | 2025-10-29 | — | — | EP | claimed |
| US-20250313575-A1 | MACROCYCLES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | MERCK SHARP & DOHME LLC (US) | 2025-10-09 | — | — | US | claimed |
| EP-2991978-B1 | BIHETEROARYL COMPOUNDS AND USES THEREOF | F HOFFMANN LA ROCHE SA (CH) | 2025-08-20 | — | — | EP | claimed |
| EP-4580751-A2 | STORAGE STABLE FORMULATIONS OF SULFATED GLYCOSAMINOGLYCANS AND FRAGMENTS DERIVED THEREFROM FOR THE TREATMENT OF PAIN AND OTHER MEDICAL CONDITIONS | Adora Animal Health Corporation (US) | 2025-07-09 | — | — | EP | claimed |
| US-12303528-B2 | Storage stable formulations of sulfated glycosaminoglycans and fragments derived therefrom for the treatment of pain and other medical conditions | ADORA ANIMAL HEALTH CORPORATION (US) | 2025-05-20 | — | — | US | claimed |
| US-20250154303-A1 | Ethylene/Alpha-Olefin Copolymer and Method for Preparing the Same | LG CHEM, LTD. (KR) | 2025-05-15 | — | — | US | claimed |
| CN-119894893-A | Sulfone substituted pyrido [3,4-D ] pyrimidine derivatives for the treatment of cancer | 拜耳公司 | 2025-04-25 | — | — | CN | claimed |
| WO-2004058829-A1 | POLYMERIZATION PROCESSES | EXXONMOBIL CHEMICAL PATENTS, INC. (US) | 2004-07-15 | — | — | WO | claimed |
| WO-2004058836-A1 | POLYMERS WITH NEW SEQUENCE DISTRIBUTIONS | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2004-07-15 | — | — | WO | claimed |
| WO-2004058825-A2 | POLYMERS WITH NEW SEQUENCE DISTRIBUTIONS | EXXONMOBIL CHEMICAL PATENTS, INC. (US) | 2004-07-15 | — | — | WO | claimed |
| EP-1404641-A1 | CRYSTALLINE FORM OF A PHENYLETHANOLAMINE, THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | Sanofi-Aventis (FR) | 2004-04-07 | — | — | EP | claimed |
| US-20040062726-A1 | Novel photostabilizers, UV absorbers, and methods of photostabilizing a sunscreen composition | BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT | 2004-04-01 | — | — | US | claimed |
| WO-2003002510-A1 | CRYSTALLINE FORM OF A PHENYLETHANOLAMINE, THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | SANOFI-SYNTHELABO (FR) | 2003-01-09 | — | — | WO | claimed |
| US-5096638-A | METHOD FOR EXTRUDING A THERMOPLASTIC PLASTICS MATERIAL FOAM | HERMANN BERSTORFF MASCHINENBAU GMBH (DE) | 1992-03-17 | — | — | US | claimed |
| EP-0086046-B1 | A PROCESS FOR THE PREPARATION OF ALPHA-6-DEOXYTETRACYCLINES | PLURICHEMIE ANSTALT (LI) | 1987-06-24 | — | — | EP | claimed |
| US-4672133-A | CRYSTALLIZATION UNDER CONTROLLED CONDITIONS | GLAXO GROUP LIMITED (GB) | 1987-06-09 | — | — | US | claimed |
| US-4115414-A | ESTRAMUSTINE PHOSPHATE ALCOHOL COMPLEXES, THEIR PREPARATION, AND THEIR USE AS INTERMEDIATES IN PURIFICATION OF SAID COMPOUND AND SALTS THEREOF | AKTIEBOLAGET LEO (SE) | 1978-09-19 | — | — | US | claimed |