⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29243441 | 0.76 | CHRNB2 (0.38) | — | |
| Hydrochloric Acid SCHEMBL29243601 | 0.75 | CHRNB2 (0.37) | — | |
| SCHEMBL29584487 | 0.74 | TSHR (0.46) | — | |
| SCHEMBL25090924 | 0.74 | POLB (0.39) | — | |
| SCHEMBL29583225 | 0.73 | KMT2A (0.38) | — | |
| SCHEMBL2727964 | 0.72 | POLB (0.50) | — | |
| SCHEMBL29243358 | 0.70 | CHRNB2 (0.36) | — | |
| SCHEMBL30298756 | 0.69 | POLB (0.32) | — | |
| SCHEMBL24423582 | 0.69 | POLB (0.37) | — | |
| SCHEMBL12065915 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220235032-A1 | BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF | GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) | 2022-07-28 | — | — | US | disclosed |