⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29957742 | 1.00 | — | — | |
| SCHEMBL25504844 | 0.86 | KDM4E (0.33) | — | |
| SCHEMBL2719735 | 0.77 | ERN1 (0.33) | — | |
| SCHEMBL29958587 | 0.75 | TDP1 (0.35) | — | |
| SCHEMBL21050694 | 0.75 | TDP1 (0.35) | — | |
| SCHEMBL22301636 | 0.73 | CYP11B2 (0.35) | — | |
| SCHEMBL30198067 | 0.73 | — | — | |
| SCHEMBL23925739 | 0.73 | PDXK (0.32) | — | |
| SCHEMBL23925949 | 0.73 | — | — | |
| SCHEMBL29958414 | 0.73 | PDXK (0.32) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116390923-A | Heterocyclic derivative and preparation method and application thereof | 浙江海正药业股份有限公司 | 2023-07-04 | — | — | CN | disclosed |
| EP-4135844-A1 | FUSED TRICYCLIC KRAS INHIBITORS | Incyte Corporation (US) | 2023-02-22 | — | — | EP | disclosed |
| CN-115702025-A | Fused tricyclic KRAS inhibitors | 因赛特公司 | 2023-02-14 | — | — | CN | disclosed |
| CN-115124524-A | Tricyclic derivative and preparation method and application thereof | 浙江海正药业股份有限公司 | 2022-09-30 | — | — | CN | disclosed |
| WO-2022198905-A1 | TRICYCLIC DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF | 浙江海正药业股份有限公司 | 2022-09-29 | — | — | WO | disclosed |
| US-20210355121-A1 | FUSED TRICYCLIC KRAS INHIBITORS | INCYTE CORPORATION | 2021-11-18 | — | — | US | disclosed |
| US-20210355121-A1 | FUSED TRICYCLIC KRAS INHIBITORS | INCYTE CORPORATION | 2021-11-18 | — | — | US | disclosed |
| WO-2021211864-A1 | FUSED TRICYCLIC KRAS INHIBITORS | INCYTE CORPORATION (US) | 2021-10-21 | — | — | WO | disclosed |
| WO-2021211864-A1 | FUSED TRICYCLIC KRAS INHIBITORS | INCYTE CORPORATION (US) | 2021-10-21 | — | — | WO | disclosed |