⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5174178 | 0.76 | — | — | |
| SCHEMBL1980569 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL10456770 | 0.72 | SPHK2 (0.45) | — | |
| SCHEMBL7851689 | 0.69 | SPHK2 (0.67) | — | |
| Bromide SCHEMBL10728305 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL354889 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL465749 | 0.69 | — | — | |
| SCHEMBL5173054 | 0.69 | — | — | |
| SCHEMBL28560628 | 0.69 | — | — | |
| SCHEMBL23668354 | 0.67 | SPHK2 (0.72) | — |
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-4522763-A | STARTING MATERIALS FOR CROP PROTECTION AGENTS AND SELECTIVE HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1985-06-11 | — | — | US | claimed |
| CN-117534630-A | Method for refining high-purity famotidine to prepare B crystal form | 重庆世森医药科技有限公司 | 2024-02-09 | — | — | CN | disclosed |
| US-20090194124-A1 | Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine | MALLE GERARD | 2009-08-06 | — | — | US | disclosed |
| US-20090139537-A1 | HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE | L'OREAL S.A. | 2009-06-04 | — | — | US | disclosed |
| US-20050136017-A1 | Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin | L'OREAL S.A. (FR) | 2005-06-23 | — | — | US | disclosed |
| US-20050129645-A1 | Hair shaping composition comprising at least one non-hydroxide imine | L'OREAL | 2005-06-16 | — | — | US | disclosed |
| EP-1532963-A1 | Composition for straightening the hair comprising at least one imine not being an hydroxide | L'OREAL (FR) | 2005-05-25 | — | — | EP | disclosed |
| EP-1532960-A1 | Hair styling composition containing a non-hydroxide imine | L'OREAL (FR) | 2005-05-25 | — | — | EP | disclosed |
| US-4522763-A | STARTING MATERIALS FOR CROP PROTECTION AGENTS AND SELECTIVE HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1985-06-11 | — | — | US | disclosed |
| EP-0073442-B1 | N-ALKOXYCARBONYL AND N-ALKOXYTHIOCARBONYL AMIDINES AND PREPARATION THEREOF | BASF Aktiengesellschaft (DE) | 1985-03-13 | — | — | EP | disclosed |