⚠ 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 | |
|---|---|---|---|---|
| Toluene SCHEMBL3837745 | 0.79 | — | — | |
| Toluene SCHEMBL29946194 | 0.79 | — | — | |
| Toluene SCHEMBL28236970 | 0.77 | — | — | |
| M-Xylene SCHEMBL18687164 | 0.76 | — | — | |
| P-Xylene SCHEMBL16530254 | 0.74 | — | — | |
| SCHEMBL12344964 | 0.72 | ACHE (1.00) | — | |
| Toluene SCHEMBL1 | 0.72 | — | — | |
| SCHEMBL12344943 | 0.72 | ACHE (1.00) | — | |
| Toluene SCHEMBL4429042 | 0.72 | ACHE (1.00) | — | |
| Toluene SCHEMBL175861 | 0.72 | ACHE (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4741383-A1 | COMPOUND AND USE THEREOF AS ANTI-CANCER DRUG | Tyligand Bioscience (Shanghai) Limited (CN) | 2026-05-13 | — | — | EP | disclosed |
| US-11795315-B2 | Group 5 metal complexes for producing amine-functionalized polyolefins | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2023-10-24 | — | — | US | disclosed |
| CN-116715562-A | Method for preparing benzyl deuterated chemical by photocatalysis and deuterated chemical | 中国科学技术大学苏州高等研究院 | 2023-09-08 | — | — | CN | disclosed |
| CN-113905785-A | Cystic fibrosis transmembrane conductance regulator modulators | 弗特克斯药品有限公司 | 2022-01-07 | — | — | CN | disclosed |
| US-7307091-B2 | Deuterated 3-piperidinopropiophenone and medicaments containing said compounds | BDD BEROLINA DRUG DEVELOPMENT GMBH (DE) | 2007-12-11 | — | — | US | disclosed |
| EP-1383752-B1 | DEUTERATED 3-PIPERIDINOPROPIOPHENONE AND MEDICAMENTS CONTAINING SAID COMPOUNDS | TURICUM DRUG DEV AG (CH) | 2005-06-22 | — | — | EP | disclosed |
| US-20040186136-A1 | Deuterated 3-piperidinopropiophenone and medicaments containing said compounds | BDD BEROLINA DRUG DEVELOPMENT GMBH (DE) | 2004-09-23 | — | — | US | disclosed |
| EP-1383752-A2 | DEUTERATED 3-PIPERIDINOPROPIOPHENONE AND MEDICAMENTS CONTAINING SAID COMPOUNDS | Turicum Drug Development AG (CH) | 2004-01-28 | — | — | EP | disclosed |
| WO-2002088100-A2 | DEUTERATED 3-PIPERIDINOPROPIOPHENONE AND MEDICAMENTS CONTAINING SAID COMPOUNDS | TURICUM DRUG DEVELOPMENT AG (CH) | 2002-11-07 | — | — | WO | disclosed |