⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL576858 | 0.84 | — | — | |
| SCHEMBL10687344 | 0.70 | — | — | |
| SCHEMBL5187 | 0.65 | — | — | |
| SCHEMBL1144463 | 0.65 | — | — | |
| SCHEMBL77383 | 0.65 | — | — | |
| SCHEMBL10187676 | 0.62 | — | — | |
| SCHEMBL24474355 | 0.61 | LMNA (0.41) | — | |
| SCHEMBL22000997 | 0.61 | — | — | |
| Ammonia Solution, Strong SCHEMBL4642805 | 0.61 | — | — | |
| SCHEMBL2344061 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180086714-A1 | Quinoline Compounds | BASF SE (DE) | 2018-03-29 | — | — | US | disclosed |
| WO-2017016915-A1 | PYRIDINE COMPOUNDS USEFUL FOR COMBATING PHYTOPATHOGENIC FUNGI | BASF SE (DE) | 2017-02-02 | — | — | WO | disclosed |
| US-7186773-B2 | Process for preparing fluorine-containing norbornene derivative | DAIKIN INDUSTRIES, LTD. (JP) | 2007-03-06 | — | — | US | disclosed |
| US-5149828-A | Tetrahydropyran compounds | CIBA-GEIGY AG (CH) | 1992-09-22 | — | — | US | disclosed |