⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL28663726 | 0.86 | — | — | |
| Trifluoroacetic Acid SCHEMBL2079996 | 0.79 | HRH4 (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL3333797 | 0.79 | CYP2D6 (0.34) | — | |
| Trifluoroacetic Acid SCHEMBL31026676 | 0.75 | PKM (0.30) | — | |
| Trifluoroacetic Acid SCHEMBL16333956 | 0.74 | — | — | |
| Trifluoroacetic Acid SCHEMBL3335470 | 0.74 | OPRM1 (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL22495565 | 0.74 | CPB2 (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL30922476 | 0.73 | — | — | |
| SCHEMBL2695845 | 0.71 | DRD2 (0.30) | — | |
| Trifluoroacetic Acid SCHEMBL34474863 | 0.71 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113912617-A | Substituted tricycles and methods of use | 艾伯维公司 | 2022-01-11 | — | — | CN | disclosed |
| CN-108349930-B | Substituted tricycles and methods of use | 艾伯维公司 | 2021-10-29 | — | — | CN | disclosed |
| 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 |