Hexane

Hexane

SCHEMBL7216245

C1CC1.CCCCCC

nearest known ligand 0.00

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⚠ 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.

Compoundsimilaritytop predictedshared targets
Cyclooctane SCHEMBL30978275 1.00 TSHR (0.64)
Cyclohexane SCHEMBL129222 1.00 TSHR (0.64)
Hexane SCHEMBL5073928 1.00 TSHR (0.64)
Cyclohexane SCHEMBL10454605 1.00 TSHR (0.64)
Cyclohexane SCHEMBL5787824 1.00 TSHR (0.64)
Cyclohexane SCHEMBL10453382 1.00 TSHR (0.64)
Cyclohexane SCHEMBL12475770 1.00 TSHR (0.64)
Hexane SCHEMBL18764545 1.00 TSHR (0.64)
Cyclohexane SCHEMBL11423653 1.00 TSHR (0.64)
Cyclohexane SCHEMBL10572382 1.00 TSHR (0.64)

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030003055-A1 Methods of preparing gaseous precursor-filled microspheres BRISTOL-MYERS SQUIBB MEDICAL IMAGING, INC. 2003-01-02 US disclosed
US-6479034-B1 Method of preparing gas and gaseous precursor-filled microspheres BRISTOL-MYERS SQUIBB MEDICAL IMAGING, INC. 2002-11-12 US disclosed
EP-1252885-A2 Methods of preparing gas and gaseous precursor-filled microspheres IMARX PHARMACEUTICAL CORP. (US) 2002-10-30 EP disclosed
US-20020150539-A1 Ultrasound imaging and treatment UNGER EVAN C (US) 2002-10-17 US disclosed
US-6071495-A TEMPERATURE ACTIVATED; PARTICULARLY USEFUL, FOR EXAMPLE, IN ULTRASONIC IMAGING APPLICATIONS AND IN THERAPEUTIC DRUG DELIVERY SYSTEMS. IMARX PHARMACEUTICAL CORP. (US) 2000-06-06 US disclosed
US-5853752-A Methods of preparing gas and gaseous precursor-filled microspheres IMARX PHARMACEUTICAL CORP. (US) 1998-12-29 US disclosed
EP-0712293-A4 METHODS OF PREPARING GAS AND GASEOUS PRECURSOR-FILLED MICROSPHERES UNGER EVAN C (US) 1998-05-06 EP disclosed
EP-0712293-A1 METHODS OF PREPARING GAS AND GASEOUS PRECURSOR-FILLED MICROSPHERES UNGER, Evan C (US) 1996-05-22 EP disclosed
WO-1994028780-A2 METHODS OF PREPARING GAS AND GASEOUS PRECURSOR-FILLED MICROSPHERES UNGER EVAN C (US) 1994-12-22 WO disclosed