⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8654779 | 0.97 | — | — | |
| SCHEMBL8882387 | 0.97 | — | — | |
| SCHEMBL2648857 | 0.90 | — | — | |
| SCHEMBL59340 | 0.82 | — | — | |
| SCHEMBL6000672 | 0.82 | ALDH1A1 (0.64) | — | |
| SCHEMBL30678315 | 0.82 | — | — | |
| SCHEMBL1003333 | 0.78 | ALDH1A1 (0.58) | — | |
| SCHEMBL5203287 | 0.78 | ALDH1A1 (0.58) | — | |
| SCHEMBL1004438 | 0.78 | ALDH1A1 (0.58) | — | |
| SCHEMBL411130 | 0.78 | ALDH1A1 (0.58) | — |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112159336-B | Preparation method of high-purity aryne substituted nitrile compound | 上海应用技术大学 | 2022-12-16 | — | — | CN | claimed |
| CN-115141104-A | Environment-friendly organic amine and preparation method and application thereof | 万华化学集团股份有限公司 | 2022-10-04 | — | — | CN | claimed |
| CN-111925285-A | Preparation method of 7-phenyl-6-heptynoic acid | 上海北卡医药技术有限公司 | 2020-11-13 | — | — | CN | claimed |
| CN-102282149-A | Process for the manufacture of (+)-biotin | — | 2011-12-14 | — | — | CN | claimed |
| WO-2009049476-A1 | PROCESS FOR THE MANUFACTURE OF (+)-BIOTIN | DSM IP ASSETS B.V. (NL) | 2009-04-23 | — | — | WO | claimed |
| CN-112159336-B | Preparation method of high-purity aryne substituted nitrile compound | 上海应用技术大学 | 2022-12-16 | — | — | CN | disclosed |
| WO-2022206888-A1 | CDK2 INHIBITORS AND USE THEREOF | QILU REGOR THERAPEUTICS INC. (CN) | 2022-10-06 | — | — | WO | disclosed |
| CN-115141104-A | Environment-friendly organic amine and preparation method and application thereof | 万华化学集团股份有限公司 | 2022-10-04 | — | — | CN | disclosed |
| CN-112159336-A | Preparation method of high-purity aryne substituted nitrile compound | 上海应用技术大学 | 2021-01-01 | — | — | CN | disclosed |
| CN-111925285-A | Preparation method of 7-phenyl-6-heptynoic acid | 上海北卡医药技术有限公司 | 2020-11-13 | — | — | CN | disclosed |
| US-9839642-B2 | Beta-tetrazolyl-propionic acids as metallo-beta-lactamase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-12-12 | — | — | US | disclosed |
| US-20170173035-A1 | BETA-TETRAZOLYL-PROPIONIC ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-06-22 | — | — | US | disclosed |
| US-5705658-A | HYPOTENSIVE AGENTS | NOVARTIS CORPORATION (US) | 1998-01-06 | — | — | US | disclosed |
| US-5654445-A | INTERMEDIATES FOR RENIN INHIBITORS, HYPOTENSIVE AGENTS | CIBA-GEIGY CORPORATION (US) | 1997-08-05 | — | — | US | disclosed |
| US-5650477-A | Liquid reactive thermosetting compositions and process for their cross-linking | ENICHEM S.P.A. (IT) | 1997-07-22 | — | — | US | disclosed |
| US-5646143-A | FOR TREATING A VARIETY OF CONDITIONS | CIBA-GEIGY CORPORATION (US) | 1997-07-08 | — | — | US | disclosed |
| US-5627182-A | RENIN INHIBITORS FOR USE AS HYPOTENSIVE AGENTS | CIBA GEIGY CORPORATION (US) | 1997-05-06 | — | — | US | disclosed |
| US-5559111-A | HYPOTENSIVE AGENTS; RENIN INHIBITORS; Aliskiren | CIBA-GEIGY CORPORATION (US) | 1996-09-24 | — | — | US | disclosed |
| EP-0720995-A2 | Liquid reactive thermosetting compositions and process for their crosslinking | ENICHEM S.p.A. (IT) | 1996-07-10 | — | — | EP | disclosed |
| EP-0229944-A2 | Novel tetrahydroisoquinoline derivatives | SYNTEX (U.S.A.) INC. (US) | 1987-07-29 | — | — | EP | disclosed |