⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7691696 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL11195799 | 0.69 | — | — | |
| SCHEMBL230646 | 0.67 | — | — | |
| SCHEMBL11103375 | 0.67 | — | — | |
| SCHEMBL7698328 | 0.67 | — | — | |
| SCHEMBL10148099 | 0.67 | — | — | |
| SCHEMBL14341635 | 0.67 | — | — | |
| SCHEMBL10288635 | 0.67 | — | — | |
| SCHEMBL8413559 | 0.61 | — | — | |
| SCHEMBL619371 | 0.61 | LMNA (0.31) | — |
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-20170343526-A1 | METHODS OF ANALYZING CRUDE OIL | PURDUE RESEARCH FOUNDATION | 2017-11-30 | — | — | US | disclosed |
| US-9733228-B2 | Methods of analyzing crude oil | PURDUE RESEARCH FOUNDATION (US) | 2017-08-15 | — | — | US | disclosed |
| US-20150309001-A1 | METHODS OF ANALYZING CRUDE OIL | PURDUE RESEARCH FOUNDATION (US) | 2015-10-29 | — | — | US | disclosed |
| WO-2015069764-A1 | POLYCATIONIC AMPHIPHILES AS ANTIMICROBIAL AGENTS | TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2015-05-14 | — | — | WO | disclosed |