⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12111354 | 0.83 | — | — | |
| SCHEMBL18773489 | 0.78 | CASP1 (0.55) | — | |
| SCHEMBL3037374 | 0.75 | — | — | |
| SCHEMBL3937366 | 0.71 | CYP1A2 (0.31) | — | |
| SCHEMBL7140373 | 0.71 | — | — | |
| SCHEMBL7833405 | 0.71 | LOXL2 (0.38) | — | |
| SCHEMBL244917 | 0.62 | — | — | |
| SCHEMBL17791783 | 0.62 | — | — | |
| SCHEMBL81512 | 0.55 | NPC1 (0.32) | — | |
| SCHEMBL2614743 | 0.55 | HRH4 (0.33) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025105341-A1 | METAL PATTERNING MATERIAL, PENTAFLUOROSULFANYL COMPOUND, METAL PATTERNING THIN FILM, ORGANIC ELECTROLUMINESCENT ELEMENT, ELECTRONIC APPARATUS, AND METAL PATTERN FORMING METHOD | 東ソー株式会社 | 2025-05-22 | — | — | WO | disclosed |
| WO-2024009108-A1 | ANTI-INFECTIVE BICYCLIC PEPTIDE LIGANDS | BICYCLETX LIMITED (GB) | 2024-01-11 | — | — | WO | disclosed |
| WO-2022148972-A1 | ANTI-INFECTIVE BICYCLIC PEPTIDE LIGANDS | BICYCLETX LIMITED (GB) | 2022-07-14 | — | — | WO | disclosed |
| WO-2022148968-A1 | ANTI-INFECTIVE BICYCLIC PEPTIDE LIGANDS | BICYCLETX LIMITED (GB) | 2022-07-14 | — | — | WO | disclosed |
| WO-2022148974-A2 | BICYCLIC PEPTIDE LIGANDS SPECIFIC FOR NK CELLS | BICYCLETX LIMITED (GB) | 2022-07-14 | — | — | WO | disclosed |
| WO-2022148969-A1 | ANTI-INFECTIVE BICYCLIC PEPTIDE LIGANDS | BICYCLETX LIMITED (GB) | 2022-07-14 | — | — | WO | disclosed |
| WO-2022148975-A1 | HETEROTANDEM BICYCLIC PEPTIDE COMPLEXES | BICYCLETX LIMITED (GB) | 2022-07-14 | — | — | WO | disclosed |
| WO-2022148971-A1 | ANTI-INFECTIVE BICYCLIC PEPTIDE LIGANDS | BICYCLETX LIMITED (GB) | 2022-07-14 | — | — | WO | disclosed |
| US-9586907-B2 | Isothiocyanate compounds, pharmaceutical compositions, and uses thereof | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2017-03-07 | — | — | US | disclosed |
| US-20150246887-A1 | ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY | 2015-09-03 | — | — | US | disclosed |
| US-8859798-B2 | Isothiocyanate compounds, pharmaceutical compositions, and uses thereof | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2014-10-14 | — | — | US | disclosed |
| US-8859798-B2 | Isothiocyanate compounds, pharmaceutical compositions, and uses thereof | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2014-10-14 | — | — | US | disclosed |
| US-20090291989-A1 | ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) | 2009-11-26 | — | — | US | disclosed |
| US-20090291989-A1 | ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) | 2009-11-26 | — | — | US | disclosed |
| WO-2008082692-A9 | ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | UNIV NEW JERSEY MED (US) | 2008-12-31 | — | — | WO | disclosed |
| WO-2008082692-A2 | ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) | 2008-07-10 | — | — | WO | disclosed |
| US-7265114-B2 | Methods and compositions of novel triazine compounds | REDDY US THERAPEUTICS, INC. (US) | 2007-09-04 | — | — | US | disclosed |