⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17414379 | 0.93 | GAA (0.36) | — | |
| SCHEMBL14571345 | 0.74 | DPP4 (0.42) | — | |
| SCHEMBL11990391 | 0.71 | ACE (0.41) | — | |
| SCHEMBL29306560 | 0.71 | DPP4 (0.33) | — | |
| SCHEMBL17414350 | 0.71 | KMT2A (0.34) | — | |
| SCHEMBL18845583 | 0.71 | DPP4 (0.42) | — | |
| SCHEMBL11990508 | 0.71 | DPP4 (0.33) | — | |
| SCHEMBL85497 | 0.71 | ACE (0.41) | — | |
| SCHEMBL17301107 | 0.71 | POLB (0.44) | — | |
| SCHEMBL8227865 | 0.71 | ACE (0.41) | — |
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-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-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 |