⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14767456 | 1.00 | — | — | |
| SCHEMBL13241215 | 1.00 | — | — | |
| SCHEMBL29341255 | 1.00 | — | — | |
| SCHEMBL13978786 | 1.00 | — | — | |
| SCHEMBL81083 | 1.00 | — | — | |
| Water SCHEMBL28183989 | 0.97 | HRH4 (0.33) | — | |
| SCHEMBL66407 | 0.85 | — | — | |
| Ammonia Solution, Strong SCHEMBL27932780 | 0.81 | — | — | |
| SCHEMBL25040378 | 0.80 | — | — | |
| SCHEMBL22789016 | 0.80 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11912708-B2 | Macrocyclic heterocycles and uses thereof | KUMQUAT BIOSCIENCES INC. (US) | 2024-02-27 | — | — | US | disclosed |
| US-20230339952-A1 | MACROCYCLIC HETEROCYCLES AND USES THEREOF | KUMQUAT BIOSCIENCES INC. | 2023-10-26 | — | — | US | disclosed |
| WO-2023036140-A1 | 3CLPRO PROTEASE INHIBITOR | 上海齐鲁制药研究中心有限公司 | 2023-03-16 | — | — | WO | disclosed |
| WO-2021155321-A2 | COMPOUNDS AND USES THEREOF | FOGHORN THERAPEUTICS INC. (US) | 2021-08-05 | — | — | WO | disclosed |
| US-11001570-B2 | 6-amino-quinolinone compounds and derivatives as BCL6 inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2021-05-11 | — | — | US | disclosed |
| US-10696713-B2 | Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof | ENANTA PHARMACEUTICALS, INC. (US) | 2020-06-30 | — | — | US | disclosed |
| US-20200071297-A1 | NEW 6-AMINO-QUINOLINONE COMPOUNDS AND DERIVATIVES AS BCL6 INHIBITORS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2020-03-05 | — | — | US | disclosed |
| US-20190194245-A1 | BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARM INC (US) | 2019-06-27 | — | — | US | disclosed |
| WO-2017147159-A1 | DEUTERATED BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. (US) | 2017-08-31 | — | — | WO | disclosed |
| US-20170240585-A1 | DEUTERATED BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. | 2017-08-24 | — | — | US | disclosed |
| US-20160185815-A1 | BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. | 2016-06-30 | — | — | US | disclosed |
| US-20160176917-A1 | Bile Acid Derivatives as FXR/TGR5 Agonists and Methods of Use Thereof | ENANTA PHARMACEUTICALS, INC. | 2016-06-23 | — | — | US | disclosed |
| US-20160145296-A1 | BILE ACID ANALOGS AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. | 2016-05-26 | — | — | US | disclosed |