⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9452386 | 0.97 | — | — | |
| SCHEMBL5576712 | 0.58 | — | — | |
| SCHEMBL12927348 | 0.58 | — | — | |
| SCHEMBL597103 | 0.58 | — | — | |
| SCHEMBL21806726 | 0.58 | — | — | |
| SCHEMBL3961837 | 0.53 | TSHR (0.42) | — | |
| SCHEMBL6240283 | 0.53 | ALDH1A1 (0.36) | — | |
| SCHEMBL18292088 | 0.51 | ALDH1A1 (0.33) | — | |
| SCHEMBL14832691 | 0.51 | — | — | |
| SCHEMBL752992 | 0.48 | — | — |
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 112 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3752496-A1 | METHODS AND INTERMEDIATES FOR PREPARING A THERAPEUTIC COMPOUND USEFUL IN THE TREATMENT OF RETROVIRIDAE VIRAL INFECTION | GILEAD SCIENCES, INC. (US) | 2020-12-23 | — | — | EP | claimed |
| WO-2019161280-A1 | METHODS AND INTERMEDIATES FOR PREPARING A THERAPEUTIC COMPOUND USEFUL IN THE TREATMENT OF RETROVIRIDAE VIRAL INFECTION | GILEAD SCIENCES, INC. (US) | 2019-08-22 | — | — | WO | claimed |
| WO-2018138500-A1 | PROCESS FOR PREPARING PURINE DERIVATIVES | CYCLACEL LIMITED (GB) | 2018-08-02 | — | — | WO | claimed |
| EP-3071563-A1 | ANTI-CANCER AGENTS AND PREPARATION THEREOF | Purdue Research Foundation (US) | 2016-09-28 | — | — | EP | claimed |
| WO-2015077370-A1 | ANTI-CANCER AGENTS AND PREPARATION THEREOF | PURDUE RESEARCH FOUNDATION (US) | 2015-05-28 | — | — | WO | claimed |
| EP-0962451-A2 | Chiral catalysts for reduction of ketones and process for their preparation | MERCK & CO. INC. (US) | 1999-12-08 | — | — | EP | claimed |
| EP-0668266-A1 | Chiral catalysts for reduction of ketones and process for their preparation | MERCK & CO. INC. (US) | 1995-08-23 | — | — | EP | claimed |
| EP-0453298-A2 | Chiral catalysts for reduction of ketones and process for their preparation | MERCK & CO. INC. (US) | 1991-10-23 | — | — | EP | claimed |
| JP-6080641-A | — | — | None | — | — | JP | disclosed |
| JP-4224556-A | — | — | None | — | — | JP | disclosed |
| JP-7109231-A | — | — | None | — | — | JP | disclosed |
| EP-3897652-A1 | SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS | KSQ Therapeutics, Inc. (US) | 2021-10-27 | — | — | EP | disclosed |
| EP-3752496-A1 | METHODS AND INTERMEDIATES FOR PREPARING A THERAPEUTIC COMPOUND USEFUL IN THE TREATMENT OF RETROVIRIDAE VIRAL INFECTION | GILEAD SCIENCES, INC. (US) | 2020-12-23 | — | — | EP | disclosed |
| WO-2020132269-A1 | SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS | KSQ Therapeutics, Inc. (US) | 2020-06-25 | — | — | WO | disclosed |
| JP-H0680641-A | PRODUCTION OF OPTICALLY ACTIVE 5-HYDROXYBENZOAZEPINE DERIVATIVE | OTSUKA PHARMACEUT CO LTD | 1994-03-22 | — | — | JP | disclosed |
| WO-1993020036-A1 | TOTAL SYNTHESIS OF TAXOL | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1993-10-14 | — | — | WO | disclosed |
| US-5177063-A | AVERMECTIN COMPOUNDS WITH A 6,5-SPIROKETAL RING SYSTEM | MERCK & CO., INC. (US) | 1993-01-05 | — | — | US | disclosed |
| EP-0503885-A1 | Avermectin compounds with a 6,5-spiroketal ring system | MERCK & CO. INC. (US) | 1992-09-16 | — | — | EP | disclosed |
| JP-H04224556-A | CHIRAL CATALYST FOR REDUCING KETONE, AND PREPARATION THEREOF | MERCK & CO INC | 1992-08-13 | — | — | JP | disclosed |
| EP-0305180-A2 | Enantioselective reduction of ketones | THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 1989-03-01 | — | — | EP | disclosed |