⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12227070 | 0.67 | — | — | |
| SCHEMBL14925898 | 0.60 | — | — | |
| SCHEMBL14925921 | 0.60 | — | — | |
| SCHEMBL13870996 | 0.58 | — | — | |
| SCHEMBL9357192 | 0.56 | — | — | |
| SCHEMBL182502 | 0.53 | — | — | |
| SCHEMBL256335 | 0.49 | — | — | |
| SCHEMBL7703054 | 0.47 | — | — | |
| SCHEMBL20267202 | 0.47 | — | — | |
| SCHEMBL5588953 | 0.46 | KDM4E (0.47) | — |
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-20230348486-A1 | NEAR-INFRARED EMITTING PORPHYRIN COMPOUND AND PREPARATION METHOD AND USE THEREOF | PEKING UNIVERSITY (CN) | 2023-11-02 | — | — | US | disclosed |
| US-9247745-B2 | Substituted pyridazines for controlling invertebrate pests | BASF SE (DE) | 2016-02-02 | — | — | US | disclosed |
| US-20130116264-A1 | Novel Hetaryl (thio)carboxamide Compounds for Controlling Invertebrate Pests | BASF SE (DE) | 2013-05-09 | — | — | US | disclosed |