⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4480433 | 0.71 | ALDH1A1 (0.41) | — | |
| Water SCHEMBL23727754 | 0.60 | — | — | |
| SCHEMBL1027110 | 0.60 | — | — | |
| SCHEMBL6181512 | 0.60 | F2 (0.71) | — | |
| SCHEMBL120212 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL3194035 | 0.57 | CES2 (0.62) | — | |
| Urea SCHEMBL4239865 | 0.57 | CES2 (0.62) | — | |
| SCHEMBL30543968 | 0.57 | HPGD (0.50) | — | |
| SCHEMBL165498 | 0.57 | — | — | |
| SCHEMBL1828771 | 0.57 | — | — |
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-20230295157-A1 | 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS | JANSSEN RESEARCH & DEVELOPMENT, LLC | 2023-09-21 | — | — | US | claimed |
| EP-4185588-A1 | 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS | Janssen Pharmaceutica NV (BE) | 2023-05-31 | — | — | EP | claimed |
| CN-116134035-A | 3- (1H-imidazol-2-yl) -2,3,8 a-tetrahydroindol-5 (1H) -one derivatives useful as factor XIA inhibitors | 詹森药业有限公司 | 2023-05-16 | — | — | CN | claimed |
| US-20230295157-A1 | 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS | JANSSEN RESEARCH & DEVELOPMENT, LLC | 2023-09-21 | — | — | US | disclosed |
| EP-4185588-A1 | 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS | Janssen Pharmaceutica NV (BE) | 2023-05-31 | — | — | EP | disclosed |
| CN-116134035-A | 3- (1H-imidazol-2-yl) -2,3,8 a-tetrahydroindol-5 (1H) -one derivatives useful as factor XIA inhibitors | 詹森药业有限公司 | 2023-05-16 | — | — | CN | disclosed |
| US-10842152-B2 | Isothiazolo-based bicycles, processes for their preparation and their use as herbicides and/or plant growth regulators | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2020-11-24 | — | — | US | disclosed |
| US-20200178532-A1 | NOVEL ISOTHIAZOLO-BASED BICYCLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND/OR PLANT GROWTH REGULATORS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2020-06-11 | — | — | US | disclosed |
| EP-2318006-B1 | NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS | NIVALIS THERAPEUTICS INC (US) | 2016-10-12 | — | — | EP | disclosed |
| US-8455477-B2 | Therapeutic compounds | MERCK SHARP & DOHME CORP. (US) | 2013-06-04 | — | — | US | disclosed |
| US-20110207711-A1 | Therapeutic Compounds | MSD K.K. (JP) | 2011-08-25 | — | — | US | disclosed |
| EP-2320907-A1 | THERAPEUTIC COMPOUNDS | Merck & Co., Inc. (US) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010017047-A1 | THERAPEUTIC COMPOUNDS | MERCK & CO., INC. (US) | 2010-02-11 | — | — | WO | disclosed |