⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17414354 | 0.98 | — | — | |
| SCHEMBL17414365 | 0.92 | — | — | |
| SCHEMBL11990507 | 0.79 | — | — | |
| SCHEMBL11990436 | 0.75 | CHRNB2 (0.42) | — | |
| SCHEMBL13398291 | 0.73 | DPP4 (0.32) | — | |
| SCHEMBL17414379 | 0.70 | GAA (0.36) | — | |
| SCHEMBL11990433 | 0.69 | CHRNB2 (0.36) | — | |
| SCHEMBL17414381 | 0.68 | — | — | |
| SCHEMBL23746702 | 0.67 | — | — | |
| SCHEMBL8763983 | 0.67 | — | — |
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-9724682-B2 | Synthesis of acyclic and cyclic amines using iron-catalyzed nitrene group transfer | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2017-08-08 | — | — | US | disclosed |
| US-20170072390-A1 | SYNTHESIS OF ACYCLIC AND CYCLIC AMINES USING IRON-CATALYZED NITRENE GROUP TRANSFER | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2017-03-16 | — | — | US | disclosed |
| US-9487472-B2 | Synthesis of acyclic and cyclic amines using iron-catalyzed nitrene group transfer | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2016-11-08 | — | — | US | disclosed |
| US-20160002145-A1 | SYNTHESIS OF ACYCLIC AND CYCLIC AMINES USING IRON-CATALYZED NITRENE GROUP TRANSFER | PRESIDENT AND FELLOWS OF HARVARD (US) | 2016-01-07 | — | — | US | disclosed |