⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1484930 | 0.97 | — | — | |
| SCHEMBL512534 | 0.97 | — | — | |
| SCHEMBL4096912 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL519722 | 0.95 | HTR2C (0.32) | — | |
| Hydrochloric Acid SCHEMBL26598105 | 0.95 | HTR2C (0.32) | — | |
| Hydrochloric Acid SCHEMBL26598349 | 0.95 | HTR2C (0.32) | — | |
| SCHEMBL28083584 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL17713200 | 0.83 | HTR2C (0.35) | — | |
| SCHEMBL30301553 | 0.83 | — | — | |
| SCHEMBL16776488 | 0.82 | SLC6A1 (0.37) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016067143-A1 | N-(2-ALKYLENEIMINO-3-PHENYLPROPYL)ACETAMIDE COMPOUNDS AND THEIR USE AGAINST PAIN AND PRURITUS VIA INHIBITION OF TRPA1 CHANNELS | PFIZER INC. (US) | 2016-05-06 | — | — | WO | disclosed |