⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11371408 | 0.76 | — | — | |
| SCHEMBL28264577 | 0.74 | — | — | |
| SCHEMBL3691676 | 0.73 | CYP3A4 (0.31) | — | |
| SCHEMBL28300405 | 0.71 | — | — | |
| SCHEMBL28711085 | 0.71 | — | — | |
| SCHEMBL7418120 | 0.68 | — | — | |
| SCHEMBL6297344 | 0.65 | — | — | |
| SCHEMBL28567153 | 0.64 | NPC1 (0.36) | — | |
| SCHEMBL11377206 | 0.62 | LMNA (0.32) | — | |
| SCHEMBL6754803 | 0.61 | POLB (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115843240-A | Solid mucoadhesive compositions | 西姆莱斯股份公司 | 2023-03-24 | — | — | CN | disclosed |
| CN-109069378-B | Perfume mixture containing ester and ketone | 西姆莱斯股份公司 | 2022-10-11 | — | — | CN | disclosed |
| US-20180118679-A1 | N-Methyl Pyrazoles | Prosetta Antiviral ,Inc. | 2018-05-03 | — | — | US | disclosed |
| WO-2016161021-A1 | N-METHYL PYRAZOLES | Prosetta Antiviral, Inc. (US) | 2016-10-06 | — | — | WO | disclosed |