⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20786954 | 0.79 | PSMB1 (0.41) | — | |
| SCHEMBL18186968 | 0.79 | ACACB (0.39) | — | |
| SCHEMBL1039192 | 0.76 | ACACB (0.41) | — | |
| SCHEMBL3670650 | 0.75 | L3MBTL1 (0.36) | — | |
| SCHEMBL2536759 | 0.75 | BACE1 (0.31) | — | |
| SCHEMBL3675541 | 0.75 | KMT2A (0.39) | — | |
| SCHEMBL3658413 | 0.75 | HTR2C (0.44) | — | |
| SCHEMBL29079055 | 0.75 | ACACB (0.42) | — | |
| SCHEMBL16553415 | 0.75 | — | — | |
| SCHEMBL1038331 | 0.75 | PSMB5 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10266532-B2 | Tricyclic modulators of TNF signaling | ABBVIE INC. (US) | 2019-04-23 | — | — | US | disclosed |
| US-20180179198-A1 | TRICYCLIC MODULATORS OF TNF SIGNALING | ABBVIE INC. | 2018-06-28 | — | — | US | disclosed |
| US-9856253-B2 | Tricyclic modulators of TNF signaling | ABBVIE, INC. (US) | 2018-01-02 | — | — | US | disclosed |
| US-20160304517-A1 | TRICYCLIC MODULATORS OF TNF SIGNALING | ABBVIE INC. | 2016-10-20 | — | — | US | disclosed |