⚠ 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL10812080 | 0.91 | — | — | |
| SCHEMBL5023034 | 0.78 | — | — | |
| SCHEMBL5163977 | 0.65 | — | — | |
| Sulfurous Acid SCHEMBL5072001 | 0.63 | — | — | |
| Sulfurous Acid SCHEMBL28143686 | 0.60 | — | — | |
| SCHEMBL8934673 | 0.59 | — | — | |
| Formic Acid SCHEMBL27653534 | 0.59 | — | — | |
| Formic Acid SCHEMBL15667855 | 0.59 | — | — | |
| SCHEMBL6850309 | 0.56 | — | — | |
| Formic Acid SCHEMBL11248324 | 0.54 | ALDH1A1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050043304-A1 | Novel amine derivative having human beta-tryptase inhibitory activity and drugs containing the same | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2005-02-24 | — | — | US | claimed |
| EP-1445250-A1 | NOVEL AMINE DERIVATIVE HAVING HUMAN BETA-TRYPTASE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2004-08-11 | — | — | EP | claimed |
| US-20050043304-A1 | Novel amine derivative having human beta-tryptase inhibitory activity and drugs containing the same | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2005-02-24 | — | — | US | disclosed |
| EP-1445250-A1 | NOVEL AMINE DERIVATIVE HAVING HUMAN BETA-TRYPTASE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2004-08-11 | — | — | EP | disclosed |
| US-4017545-A | Process for the preparation of bicycloalkane derivatives | SCHERING AKTIENGESELLSCHAFT (DT) | 1977-04-12 | — | — | US | disclosed |