⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28280 | 1.00 | — | — | |
| SCHEMBL387912 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL23089706 | 0.97 | SLC6A2 (0.39) | — | |
| Hydrochloric Acid SCHEMBL17025308 | 0.97 | SLC6A2 (0.39) | — | |
| Hydrochloric Acid SCHEMBL1652675 | 0.97 | SLC6A2 (0.39) | — | |
| Acetic Acid SCHEMBL387357 | 0.89 | CPN1 (0.46) | — | |
| SCHEMBL17311181 | 0.84 | — | — | |
| SCHEMBL22260255 | 0.84 | — | — | |
| SCHEMBL364423 | 0.84 | — | — | |
| SCHEMBL17311080 | 0.84 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240025898-A1 | HPK1 ANTAGONISTS AND USES THEREOF | SCHRÖDINGER, INC. | 2024-01-25 | — | — | US | disclosed |
| US-20240025898-A1 | HPK1 ANTAGONISTS AND USES THEREOF | SCHRÖDINGER, INC. | 2024-01-25 | — | — | US | disclosed |
| US-11078201-B2 | Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrol[3,4-c]pyridin-1-ones as HPK1 antagonists | Nimbus Saturn, Inc. (US) | 2021-08-03 | — | — | US | disclosed |
| US-11034694-B2 | Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists | Nimbus Saturn, Inc. (US) | 2021-06-15 | — | — | US | disclosed |
| US-11028085-B2 | Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as hpk1 antagonists | Nimbus Saturn, Inc. (US) | 2021-06-08 | — | — | US | disclosed |
| US-11021481-B2 | Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists | Nimbus Saturn, Inc. (US) | 2021-06-01 | — | — | US | disclosed |
| US-20210087189-A1 | SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS | CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) | 2021-03-25 | — | — | US | disclosed |
| US-20210078996-A1 | HPK1 ANTAGONISTS AND USES THEREOF | CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) | 2021-03-18 | — | — | US | disclosed |
| US-20210078998-A1 | SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS | CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) | 2021-03-18 | — | — | US | disclosed |
| WO-2021050964-A1 | HPK1 ANTAGONISTS AND USES THEREOF | Nimbus Saturn, Inc. (US) | 2021-03-18 | — | — | WO | disclosed |
| EP-2643467-A1 | METHOD FOR PRODUCING N-HETEROCYCLIC OPTICALLY ACTIVE ALCOHOLS | BASF SE (DE) | 2013-10-02 | — | — | EP | disclosed |
| WO-2012069434-A1 | METHOD FOR PRODUCING N-HETEROCYCLIC OPTICALLY ACTIVE ALCOHOLS | BASF SE (DE) | 2012-05-31 | — | — | WO | disclosed |
| US-20120135476-A1 | PROCESS FOR PREPARING N-HETEROCYCLIC OPTICALLY ACTIVE ALCOHOLS | BASF SE (DE) | 2012-05-31 | — | — | US | disclosed |
| US-7019001-B2 | Substituted benzothiazole amide derivatives | HOFFMAN-LA ROCHE INC. (US) | 2006-03-28 | — | — | US | disclosed |
| US-20040229893-A1 | Substituted benzothiazole amide derivatives | FLOHR ALEXANDER (CH) | 2004-11-18 | — | — | US | disclosed |
| US-6727247-B2 | ADENOSINE RECEPTOR LIGANDS IN A METHOD OF TREATMENT, CONTROL, OR PREVENTION OF CENTRAL NERVOUS SYSTEM DISORDERS | HOFFMAN-LA ROCHE INC. | 2004-04-27 | — | — | US | disclosed |
| US-20030149036-A1 | Substituted benzothiazole amide derivatives | HOFFMAN-LA ROCHE INC. | 2003-08-07 | — | — | US | disclosed |