⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9559222 | 0.98 | KAT2B (0.50) | — | |
| SCHEMBL20686 | 0.98 | — | — | |
| Ammonia Solution, Strong SCHEMBL7939400 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL11710308 | 0.93 | KAT2B (0.50) | — | |
| Hydrochloric Acid SCHEMBL11188349 | 0.93 | KAT2B (0.50) | — | |
| Hydrochloric Acid SCHEMBL11186626 | 0.93 | KAT2B (0.50) | — | |
| Hydrochloric Acid SCHEMBL11714085 | 0.93 | KAT2B (0.50) | — | |
| Hydrochloric Acid SCHEMBL11190142 | 0.93 | KAT2B (0.50) | — | |
| Hydrochloric Acid SCHEMBL410386 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL158635 | 0.93 | KAT2B (0.50) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117084953-A | Hair care or hair cleaning composition or skin care or skin cleaning composition | 魏德曼控股股份公司 | 2023-11-21 | — | — | CN | disclosed |
| CN-116919865-A | Dry mixture | 魏德曼控股股份公司 | 2023-10-24 | — | — | CN | disclosed |
| CN-110505868-B | Personal care compositions | 魏德曼控股股份公司 | 2023-07-28 | — | — | CN | disclosed |
| US-6268514-B1 | TREATING INDUSTRIAL MATERIALS WITH NITROETHANE COMPOUND FOR PROTECTING AGAINST ATTACK AND DESTRUCTION BY MICROORGANISMS | BASF AKTIENGESELLSCHAFT (DE) | 2001-07-31 | — | — | US | disclosed |
| US-6069161-A | TREATING THE INDUSTRIAL MATERIAL WITH AMINOISOTHIAZOLE MICROBIOCIDE | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-30 | — | — | US | disclosed |
| US-5438070-A | Agricultural fungicides | BASF AKTIENGESELLSCHAFT (DE) | 1995-08-01 | — | — | US | disclosed |
| US-5416103-A | N-cyclohex(en)yl-pyridine carboxamides and compositions containing them for controlling fungal pests | BASF AKTIENGESELLSCHAFT (DE) | 1995-05-16 | — | — | US | disclosed |
| US-4861766-A | Antimicrobial composition | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1989-08-29 | — | — | US | disclosed |