⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1971441 | 0.77 | — | — | |
| SCHEMBL28347135 | 0.77 | — | — | |
| SCHEMBL165172 | 0.76 | — | — | |
| SCHEMBL29912802 | 0.76 | — | — | |
| SCHEMBL2628998 | 0.75 | — | — | |
| SCHEMBL30040538 | 0.75 | — | — | |
| SCHEMBL41047 | 0.74 | — | — | |
| SCHEMBL29334070 | 0.73 | — | — | |
| SCHEMBL31164437 | 0.73 | — | — | |
| SCHEMBL32681569 | 0.73 | SIRT6 (0.36) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4263751-B1 | HETEROAROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2025-08-13 | — | — | EP | disclosed |
| US-12359128-B2 | Heteroaromatic isothiocyanates | MERCK PATENT GMBH (DE) | 2025-07-15 | — | — | US | disclosed |
| US-20240124779-A1 | HETEROAROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2024-04-18 | — | — | US | disclosed |
| EP-4263751-A1 | HETEROAROMATIC ISOTHIOCYANATES | Merck Patent GmbH (DE) | 2023-10-25 | — | — | EP | disclosed |
| CN-116583577-A | Heteroaromatic isothiocyanates | 默克专利股份有限公司 | 2023-08-11 | — | — | CN | disclosed |
| WO-2022129018-A1 | HETEROAROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2022-06-23 | — | — | WO | disclosed |
| WO-2022129018-A1 | HETEROAROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2022-06-23 | — | — | WO | disclosed |
| EP-3495359-A1 | FLAP MODULATORS | Janssen Pharmaceutica NV (BE) | 2019-06-12 | — | — | EP | disclosed |
| EP-3070085-B1 | FLAP MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2019-01-09 | — | — | EP | disclosed |
| EP-2951170-B1 | FLAP MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2018-10-24 | — | — | EP | disclosed |
| US-9884878-B2 | FLAP modulators | JANSSEN PHARMACEUTICA NV (BE) | 2018-02-06 | — | — | US | disclosed |
| US-9745328-B2 | Flap modulators | JANSSEN PHARMACEUTICA NV (BE) | 2017-08-29 | — | — | US | disclosed |
| EP-3070085-A1 | FLAP MODULATORS | Janssen Pharmaceutica N.V. (BE) | 2016-09-21 | — | — | EP | disclosed |
| US-20150376212-A1 | FLAP MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2015-12-31 | — | — | US | disclosed |
| EP-2951170-A2 | FLAP MODULATORS | Janssen Pharmaceutica, N.V. (BE) | 2015-12-09 | — | — | EP | disclosed |
| US-20150259357-A1 | FLAP MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2015-09-17 | — | — | US | disclosed |
| US-9079866-B2 | Flap modulators | JANSSEN PHARMACEUTICA NV (BE) | 2015-07-14 | — | — | US | disclosed |
| WO-2014121055-A2 | FLAP MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2014-08-07 | — | — | WO | disclosed |
| US-20140221311-A1 | FLAP MODULATORS | JANSSEN PHARMACEUTICA NV (US) | 2014-08-07 | — | — | US | disclosed |