⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19643118 | 0.84 | TSHR (0.48) | — | |
| SCHEMBL9679319 | 0.84 | TSHR (0.48) | — | |
| Potassium SCHEMBL10629925 | 0.81 | TSHR (0.46) | — | |
| SCHEMBL10789496 | 0.81 | TSHR (0.46) | — | |
| Calcium SCHEMBL10786902 | 0.81 | TSHR (0.46) | — | |
| SCHEMBL10632086 | 0.81 | TSHR (0.46) | — | |
| Barium SCHEMBL10787198 | 0.81 | TSHR (0.46) | — | |
| Lithium SCHEMBL8617111 | 0.81 | TSHR (0.46) | — | |
| Magnesium SCHEMBL8460788 | 0.81 | TSHR (0.46) | — | |
| SCHEMBL7967656 | 0.81 | HSD17B10 (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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113631627-A | Organic semiconductor | 天光材料科技股份有限公司 | 2021-11-09 | — | — | CN | disclosed |
| US-6204222-B1 | SUITABLE AS HERBICIDES AND FOR DESICCATION/DEFOLIATION OF PLANTS | BASF AKTIENGESELLSCHAFT (DE) | 2001-03-20 | — | — | US | disclosed |
| EP-0637298-B1 | SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM | BASF AG (DE) | 1999-03-31 | — | — | EP | disclosed |
| US-5817603-A | HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1998-10-06 | — | — | US | disclosed |
| US-5602074-A | HERBICIDES; PLANT DESICCATION, DEFOLIATION | BASF AKTIENGESELLSCHAFT (DE) | 1997-02-11 | — | — | US | disclosed |
| EP-0641321-A1 | SUBSTITUTED ISOINDOLONES | BASF Aktiengesellschaft (DE) | 1995-03-08 | — | — | EP | disclosed |
| EP-0637298-A1 | SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM | BASF Aktiengesellschaft (DE) | 1995-02-08 | — | — | EP | disclosed |
| WO-1993024456-A1 | SUBSTITUTED ISOINDOLONES | BASF AKTIENGESELLSCHAFT (DE) | 1993-12-09 | — | — | WO | disclosed |
| WO-1993022280-A1 | SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM | BASF AKTIENGESELLSCHAFT (DE) | 1993-11-11 | — | — | WO | disclosed |