⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21616230 | 1.00 | — | — | |
| SCHEMBL22086678 | 0.78 | — | — | |
| SCHEMBL15950763 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL10205587 | 0.75 | — | — | |
| SCHEMBL22196974 | 0.73 | — | — | |
| SCHEMBL25505892 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL13515270 | 0.73 | — | — | |
| SCHEMBL12516261 | 0.73 | — | — | |
| SCHEMBL18811547 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL13530984 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017102091-A1 | HETEROARYLBENZIMIDAZOLE COMPOUNDS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-06-22 | — | — | WO | disclosed |
| US-9146456-B2 | Photopolymer formulation for producing holographic media having highly crosslinked matrix polymers | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-09-29 | — | — | US | disclosed |
| US-20130224634-A1 | PHOTOPOLYMER FORMULATION FOR PRODUCING HOLOGRAPHIC MEDIA HAVING HIGHLY CROSSLINKED MATRIX POLYMERS | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-08-29 | — | — | US | disclosed |
| WO-2010055170-A1 | PYRIMIDINIUM DERIVATIVES FOR USE IN THE TREATMENT OR PREVENTION OF DIABETES | Technische Universität München (DE) | 2010-05-20 | — | — | WO | disclosed |