⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL618357 | 0.60 | — | — | |
| SCHEMBL19526948 | 0.60 | — | — | |
| SCHEMBL18885232 | 0.58 | — | — | |
| SCHEMBL12825308 | 0.56 | — | — | |
| SCHEMBL7429303 | 0.55 | — | — | |
| SCHEMBL14724321 | 0.53 | — | — | |
| SCHEMBL826097 | 0.51 | — | — | |
| SCHEMBL12274678 | 0.49 | — | — | |
| SCHEMBL1489158 | 0.41 | TDP1 (0.50) | — | |
| SCHEMBL31171 | 0.41 | CYP2A6 (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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115551864-A | Substituted tricyclic amides, analogs thereof, and methods of using the same | 爱彼特生物制药公司 | 2022-12-30 | — | — | CN | disclosed |
| CN-109232575-B | Pyrrole [1,2-b ] pyridazine compound or pharmaceutically acceptable salt thereof and application thereof | 中国科学院上海药物研究所 | 2022-01-25 | — | — | CN | disclosed |
| US-8188117-B2 | Piperidinyl-substituted isoquinolone derivatives | SANOFI-AVENTIS (FR) | 2012-05-29 | — | — | US | disclosed |
| WO-2011143657-A1 | MALE CONTRACEPTIVE COMPOSITIONS AND METHODS OF USE | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2011-11-17 | — | — | WO | disclosed |
| US-20090093518-A1 | Piperidinyl-substituted isoquinolone derivatives | SANOFI-AVENTIS (FR) | 2009-04-09 | — | — | US | disclosed |
| US-7488744-B2 | Indole-type derivatives as inhibitors of p38 kinase | SCIOS, INC. (US) | 2009-02-10 | — | — | US | disclosed |
| US-7439239-B2 | Tricyclic δ- opioid modulators | JANSSEN PHARMACEUTICA N.V. (BG) | 2008-10-21 | — | — | US | disclosed |
| US-20070232617-A1 | INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE | SCIOS, INC. (US) | 2007-10-04 | — | — | US | disclosed |