⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3381841 | 0.80 | CHRM1 (0.54) | — | |
| SCHEMBL3381840 | 0.80 | CHRM1 (0.54) | — | |
| SCHEMBL3380090 | 0.80 | — | — | |
| SCHEMBL27955925 | 0.78 | CHRM1 (0.38) | — | |
| SCHEMBL4928616 | 0.77 | SLC7A5 (0.36) | — | |
| SCHEMBL18510157 | 0.76 | CHRM1 (0.36) | — | |
| SCHEMBL3382387 | 0.76 | — | — | |
| SCHEMBL6135566 | 0.76 | — | — | |
| SCHEMBL291712 | 0.76 | — | — | |
| SCHEMBL186529 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010017405-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN | HELLER ADAM (US) | 2010-02-11 | — | — | WO | disclosed |
| US-4015008-A | N,N-dichloro substituted aminocarboxylic acids as microbiocides | NATIONAL PATENT DEVELOPMENT CORPORATION (US) | 1977-03-29 | — | — | US | disclosed |
| US-3950536-A | N,N-Dichloro substituted aminocarboxylic acids as bactericides and fungicides | BARER SOL JOSEPH | 1976-04-13 | — | — | US | disclosed |