⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12696676 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL4715841 | 0.98 | SLC6A2 (0.46) | — | |
| Hydrochloric Acid SCHEMBL7845217 | 0.98 | SLC6A2 (0.46) | — | |
| SCHEMBL19592144 | 0.88 | KDM4E (0.47) | — | |
| SCHEMBL20489304 | 0.88 | KDM4E (0.47) | — | |
| Chloroacetic Acid SCHEMBL7163883 | 0.88 | SLC6A2 (0.41) | — | |
| Trifluoroacetic Acid SCHEMBL28172123 | 0.88 | SSTR4 (0.40) | — | |
| SCHEMBL31758620 | 0.86 | KDM4E (0.46) | — | |
| Hydrochloric Acid SCHEMBL31550901 | 0.86 | KDM4E (0.46) | — | |
| SCHEMBL17763233 | 0.83 | GABRP (0.38) | — |
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 349 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4269400-B1 | YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS | MOLECURE SA (PL) | 2025-07-09 | — | — | EP | claimed |
| CN-119487019-A | Piperazine derivatives for HIV therapy | VIIV保健公司 | 2025-02-18 | — | — | CN | claimed |
| CN-112654620-B | Novel pyrazolopyridine compounds for the treatment of autoimmune diseases | 豪夫迈·罗氏有限公司 | 2023-08-04 | — | — | CN | claimed |
| CN-116285775-A | High-performance chloroprene rubber adhesive and preparation method thereof | 上谷新材料(苏州)有限公司 | 2023-06-23 | — | — | CN | claimed |
| CN-116102700-A | Softening agent and preparation method thereof | 江苏奥斯佳材料科技股份有限公司 | 2023-05-12 | — | — | CN | claimed |
| EP-3847173-B1 | NOVEL PYRAZOLOPYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | HOFFMANN LA ROCHE (CH) | 2023-04-12 | — | — | EP | claimed |
| CN-112961303-B | Softening agent for soft polyurethane foam and application thereof | 江苏奥斯佳材料科技股份有限公司 | 2023-01-03 | — | — | CN | claimed |
| CN-112961303-A | Softening agent for soft polyurethane foam and application thereof | 江苏奥斯佳材料科技股份有限公司 | 2021-06-15 | — | — | CN | claimed |
| CN-112940212-A | Polyurethane catalyst, automotive polyurethane material and preparation method thereof | 江苏奥斯佳材料科技股份有限公司 | 2021-06-11 | — | — | CN | claimed |
| CN-110036006-A | The preparation and use of pyrimidone derivatives | 癌症研究科技有限公司 | 2019-07-19 | — | — | CN | claimed |
| US-20090131432-A1 | XANTHINE DERIVATES, THEIR PREPARATION AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2009-05-21 | — | — | US | claimed |
| EP-1554278-B1 | XANTHINE DERIVATIVES, PRODUCTION THEREOF AND USE THEREOF AS MEDICINES | BOEHRINGER INGELHEIM PHARMA (DE) | 2006-04-12 | — | — | EP | claimed |
| EP-1129070-A4 | NEUROTROPHIC DIAMIDE AND CARBAMATE AGENTS | BRISTOL MYERS SQUIBB CO (US) | 2005-03-02 | — | — | EP | claimed |
| US-20040166125-A1 | Xanthine derivatives, their preparation and their use in pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-08-26 | — | — | US | claimed |
| EP-1087763-A4 | NEUROTROPHIC DIFLUOROAMIDE AGENTS | BRISTOL MYERS SQUIBB CO (US) | 2002-10-31 | — | — | EP | claimed |
| EP-1129070-A1 | NEUROTROPHIC DIAMIDE AND CARBAMATE AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-09-05 | — | — | EP | claimed |
| EP-1087763-A1 | NEUROTROPHIC DIFLUOROAMIDE AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-04-04 | — | — | EP | claimed |
| WO-2000027811-A1 | NEUROTROPHIC DIAMIDE AND CARBAMATE AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-05-18 | — | — | WO | claimed |
| WO-1999062511-A1 | NEUROTROPHIC DIFLUOROAMIDE AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1999-12-09 | — | — | WO | claimed |
| EP-0595328-B1 | Process for production of 2-thiophene aldehydes | SUMITOMO CHEMICAL CO (JP) | 1996-07-10 | — | — | EP | claimed |