⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27871414 | 0.92 | CYP1A2 (0.42) | — | |
| SCHEMBL7637155 | 0.90 | CYP1A2 (0.46) | — | |
| SCHEMBL1524848 | 0.84 | CYP1A2 (0.46) | — | |
| SCHEMBL8749582 | 0.83 | — | — | |
| SCHEMBL7991322 | 0.82 | — | — | |
| SCHEMBL2140363 | 0.82 | SIGMAR1 (0.31) | — | |
| SCHEMBL7994840 | 0.80 | CYP1A2 (0.54) | — | |
| SCHEMBL2140278 | 0.79 | SIGMAR1 (0.35) | — | |
| SCHEMBL7994419 | 0.79 | CYP1A2 (0.57) | — | |
| SCHEMBL18757630 | 0.79 | CYP1A2 (0.57) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109952324-B | Blocked multi-or double-headed compositions suitable for chain shuttling and methods of making the same | 陶氏环球技术有限责任公司 | 2023-06-09 | — | — | CN | disclosed |
| US-20230159426-A1 | LILY OF THE VALLEY ODORANT | FIRMENICH & CIE (CH) | 2023-05-25 | — | — | US | disclosed |
| CN-109963888-A | It is used to prepare the method for being suitable for bull or double end composition that chain shuttle moves | 陶氏环球技术有限责任公司 | 2019-07-02 | — | — | CN | disclosed |
| CN-109952324-A | The sealing end bull or double end composition that are moved suitable for chain shuttle and preparation method | 陶氏环球技术有限责任公司 | 2019-06-28 | — | — | CN | disclosed |
| CN-102471352-A | Organometallic compounds and process for preparation thereof | MITSUI CHEMICALS INC | 2012-05-23 | — | — | CN | disclosed |
| US-6277790-B1 | APPLYING PLANTS, SEEDS, SOILS OR ENVIRONMENT | BASF AKTIENGESELLSCHAFT (DE) | 2001-08-21 | — | — | US | disclosed |
| EP-1003741-A1 | SUBSTITUTED HERBICIDE TETRAZOLINONECARBOXYLIC ACID AMIDES | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-31 | — | — | EP | disclosed |
| WO-1999007702-A1 | SUBSTITUTED HERBICIDE TETRAZOLINONECARBOXYLIC ACID AMIDES | BASF AKTIENGESELLSCHAFT (DE) | 1999-02-18 | — | — | WO | disclosed |
| US-5066778-A | CARBON MONOXIDE/CYCLOPENTEN COPOLYMER AND PREPARATION WITH AROMATIC DINITRO COMPOUND | SHELL OIL COMPANY (US) | 1991-11-19 | — | — | US | disclosed |
| US-4005152-A | Cycloalkenynes and a method for the preparation thereof | UNIVERSAL OIL PRODUCTS COMPANY (US) | 1977-01-25 | — | — | US | disclosed |