SCHEMBL9960729

SCHEMBL9960729

CCC1=C(C(=O)O)C(CC)ON1C1=CC(O)c2ccccc21

nearest known ligand 0.00

⚠ 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
SCHEMBL9960703 0.87 HTT (0.30)
SCHEMBL9960779 0.84
SCHEMBL9960630 0.73
SCHEMBL9960582 0.71
SCHEMBL9960781 0.71
SCHEMBL9960758 0.71
SCHEMBL9960716 0.70
SCHEMBL9960640 0.70 PTGS2 (0.33)
SCHEMBL9960993 0.68 MYC (0.30)
SCHEMBL9960708 0.68 KDM4E (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 129 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10717715-B2 Solid forms of ingenol 3-(3,5-diethylisoxazole-4-carboxylate) and method for preparing the same INDENA S.P.A. (IT) 2020-07-21 US claimed
EP-3510021-A1 SOLID FORMS OF INGENOL 3-(3,5-DIETHYLISOXAZOLE-4-CARBOXYLATE) AND METHOD FOR PREPARING THE SAME Indena S.p.A. (IT) 2019-07-17 EP claimed
US-20190210980-A1 SOLID FORMS OF INGENOL 3-(3,5-DIETHYLISOXAZOLE-4-CARBOXYLATE) AND METHOD FOR PREPARING THE SAME INDENA S.P.A. (IT) 2019-07-11 US claimed
WO-2018046337-A1 SOLID FORMS OF INGENOL 3-(3,5-DIETHYLISOXAZOLE-4-CARBOXYLATE) AND METHOD FOR PREPARING THE SAME INDENA S.P.A. (IT) 2018-03-15 WO claimed
EP-2655323-B1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LTD (IE) 2017-12-20 EP claimed
EP-3223812-A1 A METHOD FOR TOPICALLY TREATING ACTINIC KERATOSIS ON THE FULL FACE OR 250 CM2 ON THE CHEST WITH INGENOL 3-(3,5-DIETHYLISOXAZOLE-4-CARBOXYLATE) Leo Laboratories Limited (IE) 2017-10-04 EP claimed
EP-3223813-A1 A METHOD FOR TOPICALLY TREATING ACTINIC KERATOSIS ON THE SCALP WITH INGENOL 3-(3,5-DIETHYLISOXAZOLE-4-CARBOXYLATE) Leo Laboratories Limited (IE) 2017-10-04 EP claimed
EP-3223814-A1 A METHOD FOR TOPICALLY TREATING ACTINIC KERATOSIS ON THE TRUNK (EXCEPT CHEST) AND EXTREMITIES WITH INGENOL 3-(3,5-DIETHYLISOXAZOLE-4-CARBOXYLATE) Leo Laboratories Limited (IE) 2017-10-04 EP claimed
US-20170258756-A1 A Method for Topically Treating Actinic Keratosis on the Scalp with Ingenol 3-(3,5-diethylisoxazole-4-carboxylate) LEO LABORATORIES LTD (IE) 2017-09-14 US claimed
US-20170258769-A1 A Method for Topically Treating Actinic Keratosis on the Trunk (except chest) and Extremities with Ingenol 3-(3,5-diethylisoxazole-4-carboxylate) LEO LABORATORIES LTD (IE) 2017-09-14 US claimed
US-9102687-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2015-08-11 US claimed
WO-2015059577-A1 A METHOD FOR TOPICALLY TREATING ACTINIC KERATOSIS ON THE FULL BALDING SCALP WITH INGENOL 3-(3,5-DIETHYLISOXAZOLE-4-CARBOXYLATE) LEO LABORATORIES LIMITED (IE) 2015-04-30 WO claimed
WO-2015059572-A1 A METHOD FOR TOPICALLY TREATING ACTINIC KERATOSIS WITH INGENOL 3-(3,5-DIETHYLISOXAZOLE-4-CARBOXYLATE) LEO LABORATORIES LIMITED (IE) 2015-04-30 WO claimed
WO-2015059574-A1 A METHOD FOR TOPICALLY TREATING ACTINIC KERATOSIS ON THE TRUNK (EXCEPT CHEST) OR EXTREMITIES WITH INGENOL 3-(3,5-DIETHYLISOXAZOLE-4-CARBOXYLATE) LEO LABORATORIES LIMITED (IE) 2015-04-30 WO claimed
US-20150119434-A1 Method for Topically Treating Actinic Keratosis with ingenol 3-(3,5-diethylisoxazole-4-carboxylate) LEO LABORATORIES LIMITED (IE) 2015-04-30 US claimed
US-20150119433-A1 METHOD OF TREATING ACTINIC KERATOSIS ON THE FULL BALDING SCALP WITH INGENOL 3-(3,5-DIETHYLISOXAZOLE-4-CARBOXYLATE) LEO LABORATORIES LIMITED (IE) 2015-04-30 US claimed
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2014-10-09 US claimed
WO-2014083198-A1 DISPENSING DEVICE LEO PHARMA A/S (DK) 2014-06-05 WO claimed
EP-2655323-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2013-10-30 EP claimed
WO-2012083953-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO PHARMA A/S (DK) 2012-06-28 WO claimed