⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL1694485 | 1.00 | — | — | |
| Bromide SCHEMBL29140693 | 0.96 | — | — | |
| SCHEMBL139642 | 0.95 | — | — | |
| Water SCHEMBL28328300 | 0.91 | — | — | |
| Ethylene Glycol SCHEMBL1561052 | 0.84 | TSHR (0.39) | — | |
| Bicarbonate SCHEMBL10179587 | 0.81 | FFAR3 (0.50) | — | |
| SCHEMBL9070602 | 0.78 | — | — | |
| Phosphonic Acid SCHEMBL28935179 | 0.78 | TDP1 (0.32) | — | |
| Urea SCHEMBL9579189 | 0.78 | TDP1 (0.42) | — | |
| SCHEMBL29028823 | 0.75 | ALDH1A1 (0.30) | — |
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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2576476-A1 | DEFOAMERS FOR HYDRATABLE CEMENTITIOUS COMPOSITIONS | W.R. GRACE & CO.-CONN. (US) | 2013-04-10 | — | — | EP | claimed |
| US-8268288-B2 | Regeneration of aluminum hydride | BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) | 2012-09-18 | — | — | US | claimed |
| WO-2011149714-A1 | DEFOAMERS FOR HYDRATABLE CEMENTITIOUS COMPOSITIONS | W.R. GRACE & CO.-CONN. (US) | 2011-12-01 | — | — | WO | claimed |
| EP-1877802-A4 | CYANIDE-FREE LYTIC REAGENT COMPOSITION AND METHOD OF USE FOR HEMOGLOBIN AND WHITE BLOOD CELL MEASUREMENT | BECKMAN COULTER INC (US) | 2008-06-18 | — | — | EP | claimed |
| EP-1877802-A2 | CYANIDE-FREE LYTIC REAGENT COMPOSITION AND METHOD OF USE FOR HEMOGLOBIN AND WHITE BLOOD CELL MEASUREMENT | Beckman Coulter, Inc. (US) | 2008-01-16 | — | — | EP | claimed |
| WO-2006118818-A2 | CYANIDE-FREE LYTIC REAGENT COMPOSITION AND METHOD OF USE FOR HEMOGLOBIN AND WHITE BLOOD CELL MEASUREMENT | BECKMAN COULTER, INC. (US) | 2006-11-09 | — | — | WO | claimed |
| EP-0821687-A1 | PREPARATION OF CLAVULANATE SALTS | Lek Pharmaceutical and Chemical Co. D.D. (SI) | 1998-02-04 | — | — | EP | claimed |
| WO-1996033197-A1 | PREPARATION OF CLAVULANATE SALTS | LEK PHARMACEUTICAL AND CHEMICAL CO. D.D. (SI) | 1996-10-24 | — | — | WO | claimed |
| US-4455147-A | COLORING TEXTILES, ANIONIC AND CATIONIC SURFACTANTS | I.W.S. NOMINEE COMPANY, LIMITED (GB) | 1984-06-19 | — | — | US | claimed |
| US-10717701-B2 | Preparation of cyclic allylic nitro compounds | International Flavors & Fragrences Inc. (US) | 2020-07-21 | — | — | US | disclosed |
| US-20200157038-A1 | PREPARATION OF CYCLIC ALLYLIC NITRO COMPOUNDS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2020-05-21 | — | — | US | disclosed |
| EP-3606904-A1 | PREPARATION OF CYCLIC ALLYLIC NITRO COMPOUNDS | International Flavors & Fragrances Inc. (US) | 2020-02-12 | — | — | EP | disclosed |
| EP-3496762-A1 | NEAR-IR LIGHT-CLEAVABLE CONJUGATES AND CONJUGATE PRECURSORS | The U.S.A. as represented by the Secretary, Department of Health and Human Services (US) | 2019-06-19 | — | — | EP | disclosed |
| US-10280333-B2 | Coating compositions | Seagrave Coatings Corp. (US) | 2019-05-07 | — | — | US | disclosed |
| WO-1993025557-A1 | PROCESS FOR THE PREPARATION OF CLAVULANIC ACID | SMITHKLINE BEECHAM PLC (GB) | 1993-12-23 | — | — | WO | disclosed |
| WO-1993018074-A1 | POLYUREAURETHANE PRIMERLESS STRUCTURAL ADHESIVE | ASHLAND OIL, INC. (US) | 1993-09-16 | — | — | WO | disclosed |
| WO-1991010691-A1 | CURATIVE FOR STRUCTURAL URETHANE ADHESIVE | ASHLAND OIL, INC. (US) | 1991-07-25 | — | — | WO | disclosed |
| US-5002806-A | Polyol, slow and fast reacting polyamines; fiberglass reinforced polyester substrates | ASHLAND OIL, INC. (US) | 1991-03-26 | — | — | US | disclosed |
| EP-0382634-A1 | Pyridazine derivatives, process for their preparation and pharmaceutical compositions containing them | ELF SANOFI (FR) | 1990-08-16 | — | — | EP | disclosed |
| US-4442247-A | WATER-SOLUBLE CATIONIC POLYMER AND FINELY DIVIDED WATER-INSOLUBLE POLYMER | NIPPON PAINT COMPANY, LTD. (JP) | 1984-04-10 | — | — | US | disclosed |