⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1192841 | 0.63 | — | — | |
| SCHEMBL6085098 | 0.60 | — | — | |
| SCHEMBL266963 | 0.60 | — | — | |
| SCHEMBL2840915 | 0.58 | ALDH1A1 (0.32) | — | |
| SCHEMBL3956646 | 0.58 | ALDH1A1 (0.35) | — | |
| SCHEMBL774380 | 0.58 | ALDH1A1 (0.35) | — | |
| SCHEMBL868850 | 0.58 | ALDH1A1 (0.35) | — | |
| SCHEMBL10583136 | 0.57 | TSHR (0.34) | — | |
| SCHEMBL847288 | 0.57 | TSHR (0.34) | — | |
| SCHEMBL9817562 | 0.57 | TSHR (0.34) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7008673-B2 | Hardenable mixture of substances, production method and use thereof | BASF COATINGS AG (DE) | 2006-03-07 | — | — | US | disclosed |
| US-20040266905-A1 | Hardenable mixture of substrances, production method and use thereof | BASF COATINGS AKTIENGESELLSCHAFT (DE) | 2004-12-30 | — | — | US | disclosed |
| EP-1440103-A1 | HARDENABLE MIXTURE OF SUBSTANCES, PRODUCTION METHOD AND USE THEREOF | BASF Coatings AG (DE) | 2004-07-28 | — | — | EP | disclosed |
| WO-2003037952-A1 | HARDENABLE MIXTURE OF SUBSTANCES, PRODUCTION METHOD AND USE THEREOF | BASF COATINGS AG (DE) | 2003-05-08 | — | — | WO | disclosed |
| US-4091020-A | CONDENSATION, CATALYTIC DECARBOXYLATION | MERCK & CO., INC. (US) | 1978-05-23 | — | — | US | disclosed |
| US-4065497-A | MICROBIOCIDES, ALGICIDES | MERCK & CO., INC. (US) | 1977-12-27 | — | — | US | disclosed |
| US-4058625-A | Broad spectrum antimicrobial compositions containing tris-(hydroxymethyl)aminomethane and polyamines | MERCK & CO., INC. (US) | 1977-11-15 | — | — | US | disclosed |
| US-4035174-A | MICROBIOCIDES | MERCK & CO., INC. (US) | 1977-07-12 | — | — | US | disclosed |
| US-4033748-A | MICROBIOCIDES | MERCK & CO., INC. (US) | 1977-07-05 | — | — | US | disclosed |
| US-4003934-A | ANTIMICROBIAL AGENTS, ALGAE INHIBITORS | MERCK & CO., INC. (US) | 1977-01-18 | — | — | US | disclosed |