SCHEMBL9652015

SCHEMBL9652015

O=CNC(N1CCNCC1)C(Cl)(Cl)Cl

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP19A1 P11511 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
Hydrochloric Acid SCHEMBL10987504 0.98 POLB (0.30) POLB
Triforine SCHEMBL10335796 0.93 POLB (0.31) POLBALDH1A1CYP1A2HPGDCYP2C19
Cadaverine Tartrate SCHEMBL11856072 0.87 POLB (0.33) POLBALDH1A1CYP1A2HPGDCYP2C19
Triforine SCHEMBL8064620 0.86 ALDH1A1 (0.34) POLBALDH1A1CYP1A2HPGDCYP2C19
Triforine SCHEMBL23278 0.86 ALDH1A1 (0.34) POLBALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL7180786 0.81 ALDH1A1 (0.44) ALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL3363797 0.78 POLB (0.45) POLBALDH1A1CYP1A2HPGDCYP2C19
Triforine SCHEMBL11829811 0.78 ALDH1A1 (0.39) POLBALDH1A1CYP1A2HPGDCYP2C19
Chrysanthemic Acid SCHEMBL10984678 0.76 LMNA (0.34) CYP1A2CYP2C19
SCHEMBL13406758 0.74 ALDH1A1 (0.31) ALDH1A1

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-4508919-A Process for the preparation of optically active cyclopropane carboxylic acids CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1985-04-02 US claimed
CN-215005146-U Detection apparatus for oxazine ammonia content in survey former milk or dairy products 珠海天祥粤澳质量技术服务有限公司 2021-12-03 CN disclosed
EP-0298480-B1 PROCESS FOR THE OPTICAL RESOLUTION OF (+)-CIS OR (+)-TRANS-PERMETHRIC ACID Kuraray Co., Ltd. (JP) 1992-10-14 EP disclosed
US-4980346-A N-ALKYL(ENE)-N-(O,O-DISUBSTITUTED-THIOPHOSPHORYL)-N',N' -SUBSTITUTED GLYCINE AMIDE DERIVATIVES ESZAKMAGYARORSUAGI VEGYIMUVEK (HU) 1990-12-25 US disclosed
US-4845272-A Process for the optical resolution of (±)-cis or (±)-trans-permethric acid KURARAY CO., LTD. (JP) 1989-07-04 US disclosed
EP-0298480-A1 Process for the optical resolution of (+)-cis or (+)-trans-permethric acid Kuraray Co., Ltd. (JP) 1989-01-11 EP disclosed
US-4508919-A Process for the preparation of optically active cyclopropane carboxylic acids CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1985-04-02 US disclosed
US-4508919-A Process for the preparation of optically active cyclopropane carboxylic acids CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1985-04-02 US disclosed
US-3975527-A Agricultural plant protection compositions containing isomers of triforine method of use CELAMERCK GMBH & CO. KG (DT) 1976-08-17 US disclosed