⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4834075 | 1.00 | — | — | |
| SCHEMBL15033105 | 0.88 | TSHR (0.33) | — | |
| SCHEMBL14984240 | 0.88 | TSHR (0.33) | — | |
| SCHEMBL11789278 | 0.87 | — | — | |
| SCHEMBL9876587 | 0.84 | CES2 (0.41) | — | |
| SCHEMBL2352505 | 0.84 | CES2 (0.41) | — | |
| SCHEMBL1288230 | 0.84 | CES2 (0.41) | — | |
| SCHEMBL19901981 | 0.80 | GABRA1 (0.44) | — | |
| SCHEMBL13599084 | 0.78 | NCF1 (0.36) | — | |
| SCHEMBL19993170 | 0.78 | NCF1 (0.36) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117463313-B | Catalyst for cyclopropyl methyl ketone condensation reaction and preparation method of 1, 3-cyclopropyl-2-butene-1-ketone | 北京航天试验技术研究所 | 2026-01-23 | — | — | CN | disclosed |
| CN-117463313-A | Catalyst for cyclopropyl methyl ketone condensation reaction and preparation method of 1, 3-cyclopropyl-2-butene-1-ketone | 北京航天试验技术研究所 | 2024-01-30 | — | — | CN | disclosed |
| CN-117463313-A | Catalyst for cyclopropyl methyl ketone condensation reaction and preparation method of 1, 3-cyclopropyl-2-butene-1-ketone | 北京航天试验技术研究所 | 2024-01-30 | — | — | CN | disclosed |
| CN-103502238-A | Fungicide hydroximoyl-tetrazole derivatives | BAYER IP GMBH | 2014-01-08 | — | — | CN | disclosed |
| US-7348065-B2 | Slipping property imparting agent for clear coating and clear coating paper having the agent applied thereon | NIPPON PAPER INDUSTRIES CO., LTD. (JP) | 2008-03-25 | — | — | US | disclosed |
| US-20050176908-A1 | Slipping property imparting agent for clear coating and clear coating paper having the agent applied thereon | SAN NOPCO LIMITED (JP) | 2005-08-11 | — | — | US | disclosed |
| CN-1643217-A | Slipping property imparting agent for clear coating and clear coating paper having the agent applied thereon | JUJO PAPER CO LTD (JP) | 2005-07-20 | — | — | CN | disclosed |
| US-20020161244-A1 | Preparation of cis-6,6-dimethyl-3-oxa-bicyclo(3.1.0)hexan-2-one | LEVIN DANIEL (GB) | 2002-10-31 | — | — | US | disclosed |
| US-6414165-B1 | REACTING LOWER ALKYL ESTER OF 4,5-EPOXY-3,3-DIMETHYLPENTANOIC ACID OR SULFONIC ESTER OF BETA,BETA-DIMETHYL-GAMMA-(HYDROXYMETHYL)-GAMMA-BUTYROLACTONE WITH ALKALI METAL OR QUATERNARY AMMONIUM ALKOXIDE IN ETHER | SYNGENTA LIMITED (GB) | 2002-07-02 | — | — | US | disclosed |
| EP-1080085-A1 | PREPARATION OF CIS-6,6-DIMETHYL-3-OXA-BICYCLO 3.1.0]HEXAN-2-ONE | ZENECA LIMITED (GB) | 2001-03-07 | — | — | EP | disclosed |
| WO-1999054324-A1 | PREPARATION OF CIS-6,6-DIMETHYL-3-OXA-BICYCLO[3.1.0]HEXAN-2-ONE | ZENECA LIMITED (GB) | 1999-10-28 | — | — | WO | disclosed |