⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1642593 | 0.74 | CYP3A4 (0.41) | — | |
| SCHEMBL16321580 | 0.74 | — | — | |
| SCHEMBL22341343 | 0.72 | FFAR3 (0.39) | — | |
| SCHEMBL2017042 | 0.72 | SLC1A2 (0.34) | — | |
| SCHEMBL2017466 | 0.72 | SLC1A2 (0.34) | — | |
| Ethylene SCHEMBL6111812 | 0.71 | CYP3A4 (0.39) | — | |
| SCHEMBL23573467 | 0.69 | CXCR2 (0.38) | — | |
| SCHEMBL18920053 | 0.68 | BDKRB1 (0.37) | — | |
| SCHEMBL17110217 | 0.68 | AKR1B10 (0.36) | — | |
| SCHEMBL2013946 | 0.68 | ATM (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160272617-A1 | SUBSTITUTED PHENYLALANINE DERIVATIVES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2016-09-22 | — | — | US | disclosed |
| EP-2857388-A1 | Azoles containing sulfone | Grünenthal GmbH (DE) | 2015-04-08 | — | — | EP | disclosed |