⚠ 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 | |
|---|---|---|---|---|
| Guanidine SCHEMBL25436559 | 0.76 | — | — | |
| Guanidine SCHEMBL8222229 | 0.73 | ALDH1A1 (0.31) | — | |
| Guanidine SCHEMBL613955 | 0.73 | — | — | |
| Guanidine SCHEMBL28162146 | 0.70 | — | — | |
| Guanidine SCHEMBL27451533 | 0.70 | — | — | |
| SCHEMBL80456 | 0.67 | — | — | |
| Sulfuric Acid SCHEMBL25413121 | 0.65 | KDM4E (0.50) | — | |
| SCHEMBL1531371 | 0.64 | — | — | |
| Guanidine SCHEMBL27640020 | 0.64 | — | — | |
| Urea SCHEMBL5915116 | 0.64 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6043254-A | ANTIPROLIFERATIVE AGENT; ENZYME INHIBITOR | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-03-28 | — | — | US | claimed |
| WO-1999051590-A1 | SUBSTITUTED INDOLINONES AS KINASE INHIBITORS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-10-14 | — | — | WO | claimed |
| CN-110591079-B | Preparation method of monofunctional nonlinear polyethylene glycol | 厦门赛诺邦格生物科技股份有限公司 | 2022-08-02 | — | — | CN | disclosed |
| CN-113429559-A | Six-arm polyethylene glycol derivative with end hetero-functionalized and preparation method thereof | 厦门赛诺邦格生物科技股份有限公司 | 2021-09-24 | — | — | CN | disclosed |
| CN-112694608-A | Six-arm polyethylene glycol derivative, preparation method and modified biologically-relevant substance | 厦门赛诺邦格生物科技股份有限公司 | 2021-04-23 | — | — | CN | disclosed |
| CN-110591079-A | Preparation method of monofunctional nonlinear polyethylene glycol | 厦门赛诺邦格生物科技股份有限公司 | 2019-12-20 | — | — | CN | disclosed |
| WO-2000020441-A2 | CYCLIC PEPTIDES AS ANTIFUNGAL AGENTS | ABBOTT LABORATORIES (US) | 2000-04-13 | — | — | WO | disclosed |
| US-6043254-A | ANTIPROLIFERATIVE AGENT; ENZYME INHIBITOR | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-03-28 | — | — | US | disclosed |
| WO-1999051590-A1 | SUBSTITUTED INDOLINONES AS KINASE INHIBITORS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-10-14 | — | — | WO | disclosed |