⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11903162 | 1.00 | TAAR1 (0.58) | — | |
| SCHEMBL102633 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL28158106 | 0.97 | TAAR1 (0.56) | — | |
| Ethylene SCHEMBL27483122 | 0.95 | TAAR1 (0.54) | — | |
| Formaldehyde SCHEMBL27827104 | 0.93 | TAAR1 (0.52) | — | |
| SCHEMBL27689803 | 0.91 | TAAR1 (0.50) | — | |
| Naphthalene SCHEMBL1725747 | 0.91 | CYP2A6 (0.59) | — | |
| SCHEMBL8092143 | 0.91 | TAAR1 (0.50) | — | |
| SCHEMBL11437506 | 0.87 | TAAR1 (0.47) | — | |
| Ethylbenzene SCHEMBL891495 | 0.85 | TP53 (0.67) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117661372-A | Hot-melt printing recording paper and preparation method thereof | 广东冠豪高新技术股份有限公司 | 2024-03-08 | — | — | CN | claimed |
| WO-2025072511-A1 | TAILORING NON-EQUILIBRIUM PATHWAYS FOR THE SELECTIVE FORMATION OF INTERMEDIATE COMPOUNDS | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2025-04-03 | — | — | WO | disclosed |
| CN-119330803-A | Synthetic method of high-purity p-methylstyrene | 中国石油化工股份有限公司 | 2025-01-21 | — | — | CN | disclosed |
| CN-118831638-A | O-methyl ethylbenzene isomerization catalyst and preparation method and application thereof | 中国石油化工股份有限公司 | 2024-10-25 | — | — | CN | disclosed |
| CN-116351404-B | Solid phase microextraction membrane and preparation method and application thereof | 中国石油化工股份有限公司 | 2024-09-27 | — | — | CN | disclosed |
| CN-117661372-A | Hot-melt printing recording paper and preparation method thereof | 广东冠豪高新技术股份有限公司 | 2024-03-08 | — | — | CN | disclosed |
| CN-113056524-B | Coloring composition | 住友化学株式会社 | 2023-08-04 | — | — | CN | disclosed |
| CN-115974638-A | Method for producing high-purity cyclopentane by cracking carbon nine | 新疆天利石化股份有限公司 | 2023-04-18 | — | — | CN | disclosed |
| US-11492311-B2 | Coupling of unit for extracting methyl-substituted aromatics with unit for hydrogenolysing alkyl-aromatics | IFP Energies Nouvelles (FR) | 2022-11-08 | — | — | US | disclosed |