⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10893444 | 0.81 | — | — | |
| SCHEMBL11201626 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL19162410 | 0.75 | — | — | |
| SCHEMBL20797141 | 0.73 | — | — | |
| SCHEMBL3013396 | 0.71 | TSHR (0.30) | — | |
| SCHEMBL20877644 | 0.71 | — | — | |
| SCHEMBL14678617 | 0.71 | — | — | |
| SCHEMBL5588966 | 0.71 | — | — | |
| SCHEMBL2469720 | 0.70 | — | — | |
| SCHEMBL15618242 | 0.70 | — | — |
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-3944592-A | Method of producing unsaturated nitriles | THE BADGER COMPANY, INC. (US) | 1976-03-16 | — | — | US | claimed |
| EP-1993980-A1 | LOWERING NITROGEN-CONTAINING LEWIS BASES IN MOLECULAR SIEVE OLIGOMERISATION | ExxonMobil Chemical Patents, Inc., A Corporation of the State of Delaware (US) | 2008-11-26 | — | — | EP | disclosed |
| WO-2007104385-A1 | LOWERING NITROGEN-CONTAINING LEWIS BASES IN MOLECULAR SIEVE OLIGOMERISATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-09-20 | — | — | WO | disclosed |