⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11495455 | 0.76 | — | — | |
| SCHEMBL2542764 | 0.74 | — | — | |
| SCHEMBL9346680 | 0.68 | IMPDH2 (0.33) | — | |
| SCHEMBL10582024 | 0.68 | IMPDH2 (0.33) | — | |
| SCHEMBL10429633 | 0.68 | TP53 (0.43) | — | |
| SCHEMBL4057745 | 0.67 | NOS2 (0.46) | — | |
| SCHEMBL628228 | 0.66 | — | — | |
| SCHEMBL11437298 | 0.65 | HCAR2 (0.35) | — | |
| SCHEMBL213352 | 0.65 | HTR2A (0.38) | — | |
| SCHEMBL2810659 | 0.65 | KCNH2 (0.41) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2279674-A | — | — | None | — | — | JP | disclosed |
| WO-2024020534-A2 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | SCHRÖDINGER, INC. (US) | 2024-01-25 | — | — | WO | disclosed |
| WO-2017053604-A1 | POTENT ANTIVIRAL PYRAZOLOPYRIDINE COMPOUNDS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2017-03-30 | — | — | WO | disclosed |
| US-7659288-B2 | 5-[N-Methyl-N-(phthalimidomethyl)amino]-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyano-4-trifluoromethylsulfinylpyrazole; used in oral form so as to prevent the possible contamination of humans or the surrounding environment; used in lower dose | MERIAL LIMITED (US) | 2010-02-09 | — | — | US | disclosed |
| US-20090192192-A1 | INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA | TOUCH BIONICS LIMITED (GB) | 2009-07-30 | — | — | US | disclosed |
| WO-2009077844-A2 | INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA | QUONOVA LLC (US) | 2009-06-25 | — | — | WO | disclosed |
| EP-1999114-A2 | PYRAZOLES AS 11-BETA-HSD-1 | F. Hoffmann-la Roche AG (CH) | 2008-12-10 | — | — | EP | disclosed |
| WO-2007107470-A2 | PYRAZOLES AS 11-BETA-HSD-1 | F. HOFFMANN-LA ROCHE AG (CH) | 2007-09-27 | — | — | WO | disclosed |
| US-20070149575-A1 | 5-Aminoalkylpyrazole derivatives as pesticidal agents | MERIAL, INC. | 2007-06-28 | — | — | US | disclosed |
| JP-H02279674-A | PRODUCTION OF 5-AMINO-3-ALKYL-4-CHLORO-1H-PYRAZOLE HYDROCHLORIDE | FUJI PHOTO FILM CO LTD | 1990-11-15 | — | — | JP | disclosed |