⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2968 | 0.91 | — | — | |
| SCHEMBL25204735 | 0.91 | — | — | |
| SCHEMBL10555097 | 0.91 | — | — | |
| SCHEMBL21722216 | 0.91 | — | — | |
| SCHEMBL21590148 | 0.91 | — | — | |
| Fluoride SCHEMBL16516699 | 0.84 | — | — | |
| SCHEMBL16097060 | 0.79 | — | — | |
| Cyanide SCHEMBL16432337 | 0.79 | — | — | |
| Methyl Alcohol SCHEMBL16432335 | 0.79 | — | — | |
| SCHEMBL93121 | 0.79 | — | — |
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 565281 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-6432995-B1 | — | — | None | — | — | US | claimed |
| US-6372916-B1 | — | — | None | — | — | US | claimed |
| JP-5155847-A | — | — | None | — | — | JP | claimed |
| US-9974782-B2 | Phosphodiesterase inhibitors and uses thereof | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2018-05-22 | — | — | US | claimed |
| US-9975882-B2 | Heteroaromatic compounds as BTK inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2018-05-22 | — | — | US | claimed |
| US-9975855-B2 | Pyrazole indanyl carboxamides | BAYER CROPSCIENCE AG (DE) | 2018-05-22 | — | — | US | claimed |
| US-9974305-B2 | Fungicidal or bactericidal composition, and method for controlling diseases | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2018-05-22 | — | — | US | claimed |
| US-9975848-B2 | Inhibitors of HIV-1 entry and methods of use thereof | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2018-05-22 | — | — | US | claimed |
| US-9975902-B2 | Compounds for the inhibition of cyclophilins and uses thereof | MERCK PATENT GMBH (DE) | 2018-05-22 | — | — | US | claimed |
| US-9974785-B2 | Aromatic heterocyclic derivatives and pharmaceutical applications thereof | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2018-05-22 | — | — | US | claimed |
| US-3951969-A | PLANT GROWTH REGULATORS | GAF CORPORATION (US) | 1976-04-20 | — | — | US | claimed |
| US-3950526-A | Quinazoline derivatives in pharmaceutical compositions for treating pain and inflammation | SUMITOMO CHEMICAL COMPANY, LIMITED (JA) | 1976-04-13 | — | — | US | claimed |
| US-3940407-A | β-Adrenergic blocking agents in the 1,2,3-thiadiazole series | SYNTEX (U.S.A.) INC. (US) | 1976-02-24 | — | — | US | claimed |
| US-3937713-A | Process for the preparation of s-triazolo[3,4-b]benzothiazoles | ELI LILLY AND COMPANY (US) | 1976-02-10 | — | — | US | claimed |
| US-3937729-A | META-BIS ANILIDE DERIVATIVES AND THEIR UTILITY AS HERBICIDES | STAUFFER CHEMICAL COMPANY (US) | 1976-02-10 | — | — | US | claimed |
| US-3935190-A | HERBICIDE | BASF AKTIENGESELLSCHAFT (DT) | 1976-01-27 | — | — | US | claimed |
| US-3932650-A | TRANQUILIZERS | E. I. DU PONT DE NEMOURS & COMPANY (US) | 1976-01-13 | — | — | US | claimed |
| US-3932429-A | Novel azabicyclo octane derivative and process for preparing same | TANABE SEIYAKU CO., LTD (JA) | 1976-01-13 | — | — | US | claimed |
| US-3931165-A | INSECTICIDES, HERBICIDES | BARER SOL J | 1976-01-06 | — | — | US | claimed |
| US-3931153-A | BACTERICIDE | BAYER AKTIENGESELLSCHAFT (DT) | 1976-01-06 | — | — | US | claimed |