⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL8015750 | 0.97 | TSHR (0.40) | — | |
| SCHEMBL6363973 | 0.88 | LMNA (0.33) | — | |
| SCHEMBL456349 | 0.78 | CYP2A6 (0.44) | — | |
| SCHEMBL5584101 | 0.77 | IDO1 (0.32) | — | |
| SCHEMBL15635850 | 0.76 | CYP2A6 (0.33) | — | |
| SCHEMBL15636895 | 0.74 | NOTUM (0.39) | — | |
| SCHEMBL21354744 | 0.74 | CYP3A4 (0.33) | — | |
| SCHEMBL3215295 | 0.72 | — | — | |
| SCHEMBL315606 | 0.72 | — | — | |
| SCHEMBL68590 | 0.72 | — | — |
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
Appears in 22124 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240239755-A1 | SUBSTITUTED PYRIDAZINONES, SALTS OR N-OXIDES THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES | BAYER AKTIENGESELLSCHAFT (DE) | 2024-07-18 | — | — | US | claimed |
| US-20240239799-A1 | (S)-1-(5-((PYRIDIN-3-YL)THIO)PYRAZIN-2-YL)-4'H,6'H-SPIRO[PIPERIDINE-4,5'-PYRROLO [1,2-B]PYRAZOL]-4'-AMINE DERIVATIVES AND SIMILAR COMPOUNDS AS SHP2 INHIBITORS FOR THE TREATMENT OF E.G. CANCER | C.N.C.C.S. S.C.A.R.L. COLLEZIONE NAZIONALE DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) | 2024-07-18 | — | — | US | claimed |
| EP-4399209-A1 | NEW QUINOLINE DERIVATIVES | Elanco Animal Health GmbH (DE) | 2024-07-17 | — | — | EP | claimed |
| EP-4397309-A2 | BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF | F. Hoffmann-La Roche AG (CH) | 2024-07-10 | — | — | EP | claimed |
| US-20240217913-A2 | PREPARATION OF SUBSTITUTED ACRYLATE COMPOUND | HUA MEDICINE (SHANGHAI) LTD. (CN) | 2024-07-04 | — | — | US | claimed |
| US-20240217995-A1 | COMPOSITIONS FOR CHEMICAL SYNTHESIS OF PEPTIDES | SEDERMA (FR) | 2024-07-04 | — | — | US | claimed |
| US-12024537-B2 | Compositions and methods for chemical synthesis | SEDERMA (FR) | 2024-07-02 | — | — | US | claimed |
| EP-3863638-B1 | PHOSPHODIESTERASE INHIBITORS | UNIV NEBRASKA (US) | 2024-06-26 | — | — | EP | claimed |
| US-20240188569-A1 | NEW YEAST STRAIN AND ITS USES FOR THE CONTROL OF PHYTOPATHOGENS | AGROVENTURES LLC (US) | 2024-06-13 | — | — | US | claimed |
| US-20240190831-A1 | TRANSTHYRETIN STABILIZING COMPOUNDS | PROTEGO BIOPHARMA, INC. | 2024-06-13 | — | — | US | claimed |
| US-3960867-A | Method of producing perylenetetracarboxylic acid derivatives | DOKUNIKHIN NIKOLAI STEPANOVICH | 1976-06-01 | — | — | US | claimed |
| US-3959285-A | Imides of 1,1'-dinaphthyl-4,4',5,5',8,8'-hexacarboxylic acid | DOKUNIKHIN NIKOLAI STEPANOVICH | 1976-05-25 | — | — | US | claimed |
| US-3959258-A | BACTERICIDES | BAYER AKTIENGESELLSCHAFT (DT) | 1976-05-25 | — | — | US | claimed |
| US-3950523-A | ANTIDEPRESSANTS | BOEHRINGER INGELHEIM GMBH (DT) | 1976-04-13 | — | — | US | claimed |
| US-3947470-A | CORONARY VASODILATORS, TREATMENT OF ANGINA PECTORIS | SMITHKLINE CORPORATION (US) | 1976-03-30 | — | — | US | claimed |
| US-3939175-A | STABILIZER | CIBA-GEIGY CORPORATION (US) | 1976-02-17 | — | — | US | claimed |
| US-3936442-A | ANTIBIOTIC | BAYER AKTIENGESELLSCHAFT (DT) | 1976-02-03 | — | — | US | claimed |
| US-3933795-A | Ureidoacetamido-penicillins | Konig, Hans-Bodo (DT) | 1976-01-20 | — | — | US | claimed |
| US-3932423-A | TREATMENT OF PSYCHOLOGICAL DISORDERS | YOSHITOMI PHARMACEUTICAL INDUSTRIES (JA) | 1976-01-13 | — | — | US | claimed |
| US-3931356-A | POLYMERIZATION | MONSANTO COMPANY (US) | 1976-01-06 | — | — | US | claimed |