⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17772790 | 0.82 | HTR2C (0.31) | — | |
| SCHEMBL26014306 | 0.72 | HTR2C (0.34) | — | |
| SCHEMBL16381040 | 0.72 | KCNA2 (0.34) | — | |
| SCHEMBL19203370 | 0.69 | MEN1 (0.35) | — | |
| SCHEMBL17552739 | 0.69 | RIPK1 (0.39) | — | |
| SCHEMBL22023990 | 0.67 | KCNA3 (0.37) | — | |
| SCHEMBL26778135 | 0.66 | HTR2C (0.34) | — | |
| SCHEMBL22273250 | 0.66 | RIPK1 (0.34) | — | |
| SCHEMBL28171587 | 0.66 | HTR2C (0.43) | — | |
| SCHEMBL23363949 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9884849-B2 | Fluorinated benzofuranyl-pyrimidine derivatives containing a sulfoximine group | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-02-06 | — | — | US | disclosed |
| US-9770445-B2 | Sulfoximine substituted 5-fluoro-N-(pyridin-2-yl)pyridin-2-amine derivatives and their use as CDK9 kinase inhibitors | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-09-26 | — | — | US | disclosed |
| US-20170217938-A1 | FLUORINATED BENZOFURANYL-PYRIMIDINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-08-03 | — | — | US | disclosed |