⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9258011 | 0.72 | — | — | |
| SCHEMBL12038676 | 0.72 | — | — | |
| SCHEMBL9285114 | 0.72 | — | — | |
| SCHEMBL979584 | 0.72 | — | — | |
| SCHEMBL12038673 | 0.72 | — | — | |
| SCHEMBL4617564 | 0.70 | — | — | |
| SCHEMBL17236310 | 0.70 | — | — | |
| SCHEMBL836656 | 0.70 | — | — | |
| SCHEMBL14844413 | 0.70 | — | — | |
| SCHEMBL2225565 | 0.70 | CDC25A (0.35) | — |
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 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116574042-A | Production process of isotretinoin | 江西华洲科技有限公司 | 2023-08-11 | — | — | CN | claimed |
| CN-103570649-A | Synthesis method of 5-hydroxyl-4-methyl-2(5H)-furanone | Shanghai new hualian pharmaceutical co ltd | 2014-02-12 | — | — | CN | claimed |
| EP-0735032-B1 | Method for preparing 5-hydroxy-4-methyl-2(5H)-furanone | BASF AG (DE) | 2002-06-19 | — | — | EP | claimed |
| EP-0802181-B1 | Retinoids | HOFFMANN LA ROCHE (CH) | 1999-12-22 | — | — | EP | claimed |
| EP-0802181-A1 | Retinoids | F. HOFFMANN-LA ROCHE AG (CH) | 1997-10-22 | — | — | EP | claimed |
| US-5654444-A | Preparation of 5-hydroxy-4-methyl-2(5H)-furanone | BASF AKTIENGESELLSCHAFT (DE) | 1997-08-05 | — | — | US | claimed |
| EP-0644186-B1 | Process for the preparation of 13-(Z)- retinoic acid. | BASF AG (DE) | 1997-01-02 | — | — | EP | claimed |
| EP-0735032-A2 | Method for preparing 5-hydroxy-4-methyl-2(5H)-furanone | BASF AKTIENGESELLSCHAFT (DE) | 1996-10-02 | — | — | EP | claimed |
| US-5424465-A | Preparation of 13-(Z)-retinoic acid | BASF AKTIENGESELLSCHAFT (DE) | 1995-06-13 | — | — | US | claimed |
| EP-0644186-A1 | Process for the preparation of 13-(Z)- retinoic acid. | BASF Aktiengesellschaft (DE) | 1995-03-22 | — | — | EP | claimed |
| EP-0111325-B1 | PROCESS FOR THE PREPARATION OF 13-CIS-RETINOIC ACID | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1988-01-27 | — | — | EP | claimed |
| EP-0111325-A2 | Process for the preparation of 13-cis-retinoic acid | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-06-20 | — | — | EP | claimed |
| JP-8269038-A | — | — | None | — | — | JP | disclosed |
| JP-10036343-A | — | — | None | — | — | JP | disclosed |
| JP-6306047-A | — | — | None | — | — | JP | disclosed |
| CN-118772088-A | 2-Butenolide thioacetate compound and preparation method and application thereof | 北京农学院 | 2024-10-15 | — | — | CN | disclosed |
| EP-0111325-A2 | Process for the preparation of 13-cis-retinoic acid | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-06-20 | — | — | EP | disclosed |
| EP-0111325-A2 | Process for the preparation of 13-cis-retinoic acid | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-06-20 | — | — | EP | disclosed |
| EP-0039830-A1 | Process for the preparation of optically active compounds and their use in the preparation of vitamin E | BASF Aktiengesellschaft (DE) | 1981-11-18 | — | — | EP | disclosed |
| US-3992416-A | 4-Oxa-5-hydroxypolycycloalkenones-(3) | BASF AKTIENGESELLSCHAFT (DT) | 1976-11-16 | — | — | US | disclosed |