⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9930328 | 1.00 | — | — | |
| Tert-Butanol SCHEMBL3628777 | 0.83 | — | — | |
| Tert-Butanol SCHEMBL20503401 | 0.83 | ALDH1A1 (0.46) | — | |
| Tert-Butanol SCHEMBL282 | 0.83 | — | — | |
| Tert-Butanol SCHEMBL788666 | 0.83 | ALDH1A1 (0.46) | — | |
| SCHEMBL95726 | 0.83 | — | — | |
| Methoxymethane SCHEMBL9363612 | 0.82 | — | — | |
| Tert-Butanol SCHEMBL25297067 | 0.77 | ALDH1A1 (0.42) | — | |
| Tert-Butanol SCHEMBL183182 | 0.77 | — | — | |
| Tert-Butanol SCHEMBL1794621 | 0.77 | — | — |
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 5605 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-20260015454-A1 | HIGH PERFORMANCE, AMBIENT CURE POLYURETHANES COMPRISING POLYCAPROLACTONE POLYOLS | INGEVITY UK LTD (GB) | 2026-01-15 | — | — | US | claimed |
| US-20250388518-A1 | OXIDATION PROTECTIVE COATING FOR DIBORIDE BASED ULTRA-HIGH TEMPERATURE CERAMICS, BASED ON ELEMENTAL ALUMINUM AND ALUMINA MIXTURES | DEUTSCH ZENTR LUFT & RAUMFAHRT (DE) | 2025-12-25 | — | — | US | claimed |
| EP-4594381-A1 | NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE | Ingevity UK Ltd (GB) | 2025-08-06 | — | — | EP | claimed |
| US-20250243313-A1 | POLYCAPROLACTONE POLYOLS, ELASTOMERS, AND METHODS OF MAKING AND USING THE SAME | INGEVITY UK LTD (GB) | 2025-07-31 | — | — | US | claimed |
| US-20250230274-A1 | POLYCAPROLACTONE POLYOLS, POLYURETHANE DISPERSIONS, AND METHODS OF MAKING AND USING THE SAME | INGEVITY UK LTD (GB) | 2025-07-17 | — | — | US | claimed |
| WO-2025149744-A1 | POLYCAPROLACTONE POLYOLS, POLYURETHANE DISPERSIONS, AND METHODS OF MAKING AND USING THE SAME | INGEVITY UK LTD (GB) | 2025-07-17 | — | — | WO | claimed |
| US-20240374194-A1 | Adhesive Wearable Sensors for Measuring Bioelectrical Signals | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2024-11-14 | — | — | US | claimed |
| EP-4430151-A1 | READY TO USE CLEANER/DISINFECTANT COMPOSITION FOR CLEANING MEDICAL INSTRUMENTS | American Sterilizer Company (US) | 2024-09-18 | — | — | EP | claimed |
| WO-2024178255-A1 | SOLID FORMULATIONS AND POLYMORPHIC FORMS OF INDOLINE INHIBITORS OF KIF18A | VOLASTRA THERAPEUTICS, INC. (US) | 2024-08-29 | — | — | WO | claimed |
| WO-2024145518-A1 | ABRASIVE ARTICLE WITH ECO-FRIENDLY SOLVENT | SAINT-GOBAIN ABRASIVES, INC. (US) | 2024-07-04 | — | — | WO | claimed |
| US-4187301-A | ANTIINFLAMMATORY AGENTS | SYNTEX (U.S.A.) INC. (US) | 1980-02-05 | — | — | US | claimed |
| EP-0004773-A2 | 17-Beta-thiocarboxylic acid esters of 4-halo-3-oxoandrost-4-enes, their pharmaceutical use and processes for their preparation | SYNTEX (U.S.A.) INC. (US) | 1979-10-17 | — | — | EP | claimed |
| EP-0002895-A1 | Enzyme inhibitory phthalazin-4-ylacetic acid derivatives, pharmaceutical compositions thereof, and process for their manufacture | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1979-07-11 | — | — | EP | claimed |
| US-4155770-A | PUMP DISPENSABLE, ANTISTICKING AGENT | BLUE CROSS LABORATORIES (US) | 1979-05-22 | — | — | US | claimed |
| US-4124707-A | 7α-Halogeno-3,20-dioxo-1,4-pregnadienes, methods for their manufacture, their use as anti-inflammatory agents, and pharmaceutical formulations useful therefor | SCHERING CORPORATION (US) | 1978-11-07 | — | — | US | claimed |
| US-4049804-A | Novel pregnanoic acid derivatives | SCHERING AKTIENGESELLSCHAFT (DT) | 1977-09-20 | — | — | US | claimed |
| US-4039668-A | CORTICOID-CONTAINING INHALANTS | SCHERING AKTIENGESELLSCHAFT (DT) | 1977-08-02 | — | — | US | claimed |
| US-4036831-A | Trimethyl siloxane steroid intermediates | STEROID DEVELOPMENT COMPANY ESTABLISHMENT (CH) | 1977-07-19 | — | — | US | claimed |
| US-4020171-A | CHEMICAL INTERMEDIATES | SAGAMI CHEMICAL RESEARCH CENTER (JA) | 1977-04-26 | — | — | US | claimed |
| US-3931167-A | Process for the manufacture of 3-keto-6-azido-4,6-bis-dehydro-steroids and intermediates useful therein | SCHERING CORPORATION (US) | 1976-01-06 | — | — | US | claimed |